ChemDB: Chemical Search
Download
Chemical ID: 6314667
Chemical ID:
6314667
Name [?]:
2-[4-(2-methyl-3-nitro-benzoyl)aminophenoxy]acetic acid
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)O
InChi [?]:
InChI=1/C16H14N2O6/c1-10-13(3-2-4-14(10)18(22)23)16(21)17-11-5-7-12(8-6-11)24-9-15(19)20/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,15,19,16,18,21,2,14,17,3,7,22,11,13,8,23,24,12,9,10,20/E:(5,6)(7,8)(19,20)(22,23)/CRV:18.5/rA:24nCCCCCCCN+OO-CONCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O6 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.12169 |
Area: | 530.285 |
Solvation: | -10.1354 |
Coulombic: | -66.0994 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.292 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.81 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|