Chemical ID: 5234301

COc1ccc2ccc3c(c2c1)C(=O)CC3
Chemical ID:
5234301
Name [?]:
None
SMILES [?]:
COc1ccc2ccc3c(c2c1)C(=O)CC3
InChi [?]:
InChI=1/C14H12O2/c1-16-11-6-4-9-2-3-10-5-7-13(15)14(10)12(9)8-11/h2-4,6,8H,5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,5,16,4,15,12,6,9,3,11,13,10,14,2/rA:16nCOCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s10;d13;s13;s9s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.11122
Area:374.781
Solvation:-3.25831
Coulombic:-15.4422
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.72
LogP (Chemaxon):2.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue