ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 3966630

Chemical ID:

3966630

Name [?]:

2-(4-phenylphenyl)acetic acid

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)CC(=O)O

InChi [?]:

InChI=1/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,9,11,8,12,13,10,4,7,14,15,16/E:(2,3)(4,5)(6,7)(8,9)(15,16)/rA:16nCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.61858
Area:	399.877
Solvation:	-2.37835
Coulombic:	-28.5044

Bond Count [?]

All:	17
Single:	10
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	212.244
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.39
LogP (Chemaxon):	3.36

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value