Chemical ID: 3965629

c1ccc(cc1)c2cc(=O)c3c4ccccc4ccc3o2
Chemical ID:
3965629
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc(=O)c3c4ccccc4ccc3o2
InChi [?]:
InChI=1/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,16,3,5,13,18,19,8,17,4,12,9,20,7,11,10,21/E:(2,3)(7,8)/rA:21nCCCCCCCCCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.17537
Area:449.006
Solvation:-2.04979
Coulombic:-19.5366
Bond Count [?]
All:24
Single:14
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:272.297
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.9
LogP (Chemaxon):4.62

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