Chemical ID: 4253617

c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)O
Chemical ID:
4253617
Name [?]:
2-(4-chlorophenyl)-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)O
InChi [?]:
InChI=1/C14H11ClO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,13,10,12,4,8,11,7,15,14,16,17/E:(2,3)(4,5)(6,7)(8,9)(16,17)/rA:17cCCCCCCCCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s7;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.4728
Area:422.781
Solvation:-2.09673
Coulombic:-29.9853
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.689
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.98

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Descriptor Annotations

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