Chemical ID: 4911461

c1cc2cccc3c2c(c1)N=C4N3C(=O)OC4
Chemical ID:
4911461
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)N=C4N3C(=O)OC4
InChi [?]:
InChI=1/C13H8N2O2/c16-13-15-10-6-2-4-8-3-1-5-9(12(8)10)14-11(15)7-17-13/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,17,3,9,7,12,8,14,11,13,15,16/rA:17nCCCCCCCCCCNCNCOOC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s7s12;s13;d14;s14;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.11698
Area:362.142
Solvation:-1.93656
Coulombic:-35.0318
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:224.215
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):2.71

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