Chemical ID: 4975578

c1ccc(cc1)Nc2cccc(c2C(=O)O)Cl
Chemical ID:
4975578
Name [?]:
2-anilino-6-chloro-benzoic acid
SMILES [?]:
c1ccc(cc1)Nc2cccc(c2C(=O)O)Cl
InChi [?]:
InChI=1/C13H10ClNO2/c14-10-7-4-8-11(12(10)13(16)17)15-9-5-2-1-3-6-9/h1-8,15H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,3,5,11,9,4,12,8,13,14,17,7,15,16/E:(2,3)(5,6)(16,17)/rA:17nCCCCCCNCCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.48435
Area:417.578
Solvation:-1.9551
Coulombic:-40.656
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

Name Annotations

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Descriptor Annotations

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