Chemical ID: 5333949

c1ccc2c(c1)c(c[nH]2)C(=NO)N
Chemical ID:
5333949
Name [?]:
amino-(1H-indol-3-yl)methanone oxime
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=NO)N
InChi [?]:
InChI=1/C9H9N3O/c10-9(12-13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11,13H,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,7,4,10,13,9,11,12/rA:13nCCCCCCCCNCNON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;w10;s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.40052
Area:335.278
Solvation:-1.98142
Coulombic:-41.7152
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:175.187
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.54
LogP (Chemaxon):1.23

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