Chemical ID: 6450269

c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Cl
Chemical ID:
6450269
Name [?]:
2-(3-chlorophenyl)aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,6,3,16,15,11,5,4,7,17,10,8,9/E:(16,17)/rA:17nCCCCCCCOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.40123
Area:412.501
Solvation:-1.91128
Coulombic:-40.6291
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.677
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):3.98

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Descriptor Annotations

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