Chemical ID: 6541114

c1ccc2c(c1)C(=Nc3ccccn3)C(=O)N2
Chemical ID:
6541114
Name [?]:
3-(2-pyridylimino)indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=Nc3ccccn3)C(=O)N2
InChi [?]:
InChI=1/C13H9N3O/c17-13-12(16-11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-8H,(H,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,6,3,10,13,5,4,9,7,15,14,17,8,16/rA:17nCCCCCCCNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s7;d15;s4s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.14525
Area:385.162
Solvation:-2.48379
Coulombic:-33.7355
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:223.23
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.72
LogP (Chemaxon):3.02

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