| Phytochemical Name : Aristolochic acid II |
| PCNDIDA0181 |
| Pubchem CID : 108168 |
| Molecular formula: C16H9NO6 |
| Canonical SMILES : C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-] |
Synonymes : Aristolochic acid B|Aristolochic acid II|475-80-9|CCRIS 6497|UNII-BB72D5PU2Y|EINECS 207-499-6|BB72D5PU2Y|BRN 0329754|CHEMBL602280|Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-|DTXSID00197166|5-19-07-00425 (Beilstein Handbook Reference)|6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid|6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|3,4-(Methylenedioxy)-10-nitrophenanthrene-1-carboxylic Acid|6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid|6-Nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid|6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid|AristolochicacidB|SCHEMBL571697|6-nitrophenanthro(3,4-d)-3-dioxole-5-carboxylic acid|DTXCID10119657|CHEBI:194149|C16-H9-N-O6|HY-N0511|Aristolochic acid II , HPLC Grade|BDBM50306854|MFCD01708574|AKOS015889601|Aristolochic acid B, >=97% (HPLC)|AC-34517|AS-78438|LS-102940|CS-0009051|FT-0622473|A904448|Q-100503|Q2548975|6-nitro-phenanthro-[3,4-d]-1,3-dioxole-5-carboxylic acid|B2703-350870|10-Nitro-3,4-(epoxymethanoxy)phenanthrene-1-carboxylic acid|6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|GOR |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.130 |
| Log Po/w (XLOGP3) : 3.590 |
| Log Po/w (WLOGP) : 3.330 |
| Log Po/w (MLOGP) : 1.620 |
| Log Po/w (SILICOS-IT) : 1.090 |
| Consensus Log Po/w : 2.350 |