Chemical ID: 4255922

c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)C(=O)O
Chemical ID:
4255922
Name [?]:
2-[(4-chlorophenyl)carbamoyl]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C14H10ClNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,13,10,5,4,7,17,16,9,8,18,19/E:(5,6)(7,8)(18,19)/rA:19nCCCCCCCONCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.17824
Area:449.907
Solvation:-3.06943
Coulombic:-49.3662
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.687
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):3.14

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Descriptor Annotations

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