Chemical ID: 3966633

c1ccc(cc1)c2ccc(cc2)C(=O)CCC(=O)O
Chemical ID:
3966633
Name [?]:
4-oxo-4-(4-phenylphenyl)-butanoic acid
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,15,16,4,7,10,13,17,14,18,19/E:(2,3)(4,5)(6,7)(8,9)(18,19)/rA:19nCCCCCCCCCCCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.68183
Area:465.088
Solvation:-2.94538
Coulombic:-35.6124
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.17
LogP (Chemaxon):2.83

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