Chemical ID: 4416861

CCC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)O)Cl
Chemical ID:
4416861
Name [?]:
4-chloro-2-(4-propanoylaminobenzoyl)amino-benzoic acid
SMILES [?]:
CCC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)O)Cl
InChi [?]:
InChI=1/C17H15ClN2O4/c1-2-15(21)19-12-6-3-10(4-7-12)16(22)20-14-9-11(18)5-8-13(14)17(23)24/h3-9H,2H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,10,18,7,11,19,16,9,17,6,20,15,3,12,21,24,5,14,4,13,22,23/E:(3,4)(6,7)(23,24)/rA:24nCCCONCCCCCCCONCCCCCCCOOCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3066
Area:548.661
Solvation:-3.40991
Coulombic:-69.2998
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.765
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):3.74

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