Chemical ID: 3967143

CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
Chemical ID:
3967143
Name [?]:
2-(3-benzoylphenyl)propanoic acid
SMILES [?]:
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,5,12,16,4,6,8,2,11,3,7,9,17,10,18,19/E:(3,4)(6,7)(18,19)/rA:19cCCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;d12;s13;d14;d11s15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.28349
Area:444.545
Solvation:-2.83014
Coulombic:-37.7909
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):3.46

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Descriptor Annotations

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