Chemical ID: 4964408

c1ccc2c(c1)c(=O)n3c4ccccc4oc3n2
Chemical ID:
4964408
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c4ccccc4oc3n2
InChi [?]:
InChI=1/C14H8N2O2/c17-13-9-5-1-2-6-10(9)15-14-16(13)11-7-3-4-8-12(11)18-14/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,5,4,10,15,7,17,18,9,8,16/rA:18nCCCCCCCONCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s9s16;s4d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.89445
Area:386.288
Solvation:-1.76274
Coulombic:-33.8712
Bond Count [?]
All:21
Single:13
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:236.226
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.36
LogP (Chemaxon):3.2

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