Chemical ID: 4453672

COc1ccc(cc1Cl)C(=O)Nc2ccccc2C(=O)O
Chemical ID:
4453672
Name [?]:
2-(3-chloro-4-methoxy-benzoyl)aminobenzoic acid
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2ccccc2C(=O)O
InChi [?]:
InChI=1/C15H12ClNO4/c1-21-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,5,4,7,6,18,8,13,3,10,19,9,12,11,20,21,2/E:(19,20)/rA:21nCOCCCCCCClCONCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.47683
Area:483.238
Solvation:-3.60413
Coulombic:-57.3432
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.713
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):3.53

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