Chemical ID: 4606574

Cc1cc2c([nH]1)ccc3c2non3
Chemical ID:
4606574
Name [?]:
None
SMILES [?]:
Cc1cc2c([nH]1)ccc3c2non3
InChi [?]:
InChI=1/C9H7N3O/c1-5-4-6-7(10-5)2-3-8-9(6)12-13-11-8/h2-4,10H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,3,2,4,5,9,10,6,13,11,12/rA:13nCCCCCNCCCCNON/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s4s9;d10;s11;d9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.49218
Area:319.756
Solvation:-1.50171
Coulombic:-13.089
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.171
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.17
LogP (Chemaxon):2.09

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