Chemical ID: 4491222

c1ccc2c(c1)COC3(N2)c4ccccc4NC3=O
Chemical ID:
4491222
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)COC3(N2)c4ccccc4NC3=O
InChi [?]:
InChI=1/C15H12N2O2/c18-14-15(11-6-2-4-8-13(11)16-14)17-12-7-3-1-5-10(12)9-19-15/h1-8,17H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,6,12,3,15,7,5,11,4,16,18,9,17,10,19,8/rA:19cCCCCCCCOCNCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;s11;d12;s13;d14;d11s15;s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.71093
Area:403.679
Solvation:-2.38105
Coulombic:-46.8713
Bond Count [?]
All:22
Single:15
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:252.268
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.69
LogP (Chemaxon):3.16

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