Chemical ID: 7088298

c1ccc(cc1)C(C(=O)O)Nc2cccc(c2)Cl
Chemical ID:
7088298
Name [?]:
2-(3-chlorophenyl)amino-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H12ClNO2/c15-11-7-4-8-12(9-11)16-13(14(17)18)10-5-2-1-3-6-10/h1-9,13,16H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,15,13,17,4,16,12,7,8,18,11,9,10/E:(2,3)(5,6)(17,18)/rA:18cCCCCCCCCOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12ClNO2
All Atoms:30
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.82344
Area:447.85
Solvation:-2.37281
Coulombic:-42.0067
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.703
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.65

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