Chemical ID: 4788138

c1ccc(cc1)C(=O)CCCCCCCCC(=O)O
Chemical ID:
4788138
Name [?]:
10-oxo-10-phenyl-decanoic acid
SMILES [?]:
c1ccc(cc1)C(=O)CCCCCCCCC(=O)O
InChi [?]:
InChI=1/C16H22O3/c17-15(14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(18)19/h5-7,10-11H,1-4,8-9,12-13H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:12,13,11,14,1,2,6,10,15,3,5,9,16,4,7,17,8,18,19/E:(6,7)(10,11)(18,19)/rA:19nCCCCCCCOCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0606
Area:521.17
Solvation:-2.96862
Coulombic:-36.0659
Bond Count [?]
All:19
Single:14
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:262.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):3.52

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Descriptor Annotations

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