Chemical ID: 4097405

c1ccc2c(c1)c3c([nH]2)C=NCC3
Chemical ID:
4097405
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C=NCC3
InChi [?]:
InChI=1/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,7,13H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,12,10,5,7,4,8,11,9/rA:13nCCCCCCCCNCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.48349
Area:323.255
Solvation:-1.59788
Coulombic:-17.0426
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.211
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.86
LogP (Chemaxon):2.29

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