Chemical ID: 5623385

COC(=O)c1ccccc1NC(=O)c2cccc(c2)Cl
Chemical ID:
5623385
Name [?]:
methyl 2-(3-chlorobenzoyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C15H12ClNO3/c1-20-15(19)12-7-2-3-8-13(12)17-14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,8,16,15,17,6,9,19,14,18,5,10,12,3,20,11,13,4,2/rA:20nCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.66223
Area:476.022
Solvation:-2.23832
Coulombic:-43.4296
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.713
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):3.82

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Descriptor Annotations

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