Chemical ID: 5763830

CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
Chemical ID:
5763830
Name [?]:
None
SMILES [?]:
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
InChi [?]:
InChI=1/C19H15NO4/c1-3-12-8-13-16(9-15(12)23-11(2)21)24-17-10-20-7-5-4-6-14(20)18(17)19(13)22/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,19,18,20,17,4,7,15,10,3,5,21,8,6,14,22,23,16,11,24,9,13/rA:24nCCCCCCCCOCOCOCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s6;s13;d14;s15;s16;d17;s18;d19;s16s20;s14d21;s5s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.58712
Area:504.902
Solvation:-3.03543
Coulombic:-39.1881
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:321.327
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):4.1

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