Chemical ID: 4688798

COc1ccc(cc1OC)c2cc3c(nn2)-c4ccccc4C3=O
Chemical ID:
4688798
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)c2cc3c(nn2)-c4ccccc4C3=O
InChi [?]:
InChI=1/C19H14N2O3/c1-23-16-8-7-11(9-17(16)24-2)15-10-14-18(21-20-15)12-5-3-4-6-13(12)19(14)22/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,20,18,21,5,4,7,12,6,17,22,13,11,3,8,14,23,16,15,24,2,9/rA:24nCOCCCCCCOCCCCCNNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;s13s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.22368
Area:514.393
Solvation:-5.63615
Coulombic:-26.4924
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.326
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):2.24

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