Chemical ID: 4944253

c1ccc2c(c1)CCC23C(=O)CCC3=O
Chemical ID:
4944253
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)CCC3=O
InChi [?]:
InChI=1/C13H12O2/c14-11-5-6-12(15)13(11)8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,7,8,5,4,10,14,9,11,15/E:(5,6)(11,12)(14,15)/rA:15nCCCCCCCCCCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.64211
Area:353.854
Solvation:-3.20425
Coulombic:-14.1079
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.233
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.47
LogP (Chemaxon):3.15

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Descriptor Annotations

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