Chemical ID: 5210984

c1ccc2c(c1)CC(=O)C3C2C3
Chemical ID:
5210984
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC(=O)C3C2C3
InChi [?]:
InChI=1/C11H10O/c12-11-5-7-3-1-2-4-8(7)9-6-10(9)11/h1-4,9-10H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,12,5,4,11,10,8,9/rA:12cCCCCCCCCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s10s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:5.96091
Area:311.382
Solvation:-1.82365
Coulombic:-7.99794
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:158.197
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.28
LogP (Chemaxon):2.41

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