Chemical ID: 4261572

c1ccc(cc1)NC(=Nc2ccccc2)[O-]
Chemical ID:
4261572
Name [?]:
anilino-phenylimino-methanolate
SMILES [?]:
c1ccc(cc1)NC(=Nc2ccccc2)[O-]
InChi [?]:
InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,3,5,11,15,4,10,8,7,9,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16nCCCCCCNCNCCCCCCO-/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s9;s10;d11;s12;d13;d10s14;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N2O-
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-35.1096
Area:397.078
Solvation:-45.0365
Coulombic:2.9804
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:211.239
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.05
LogP (Chemaxon):4.15

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