Chemical ID: 6666442

c1ccc(cc1)CN(Cc2ccccc2)N=O
Chemical ID:
6666442
Name [?]:
N-benzyl-N-nitroso-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)N=O
InChi [?]:
InChI=1/C14H14N2O/c17-15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,7,9,4,10,16,8,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/rA:17nCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.79039
Area:418.075
Solvation:-1.66147
Coulombic:-7.9222
Bond Count [?]
All:18
Single:11
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.274
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.15
LogP (Chemaxon):3.56

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