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Chemical ID: 7088298
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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