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Chemical ID: 4253617
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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