Chemical ID: 4118395

c1cc2cc(c(=O)n3c2c(c1)CC3)C=O
Chemical ID:
4118395
Name [?]:
None
SMILES [?]:
c1cc2cc(c(=O)n3c2c(c1)CC3)C=O
InChi [?]:
InChI=1/C12H9NO2/c14-7-10-6-9-3-1-2-8-4-5-13(11(8)9)12(10)15/h1-3,6-7H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,13,4,14,10,3,5,9,6,8,15,7/rA:15nCCCCCCONCCCCCCO/rB:s1;d2;s3;d4;s5;d6;s6;s3s8;d9;d1s10;s10;s8s12;s5;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.66892
Area:346.827
Solvation:-4.00176
Coulombic:-21.9913
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.205
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.85
LogP (Chemaxon):1.84

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