Chemical ID: 4272397

c1ccc(cc1)NC2=Nc3ccccc3CCC2
Chemical ID:
4272397
Name [?]:
N-phenyl-2-azabicyclo[5.4.0]undeca-2,8,10,12-tetraen-3-amine
SMILES [?]:
c1ccc(cc1)NC2=Nc3ccccc3CCC2
InChi [?]:
InChI=1/C16H16N2/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)18-16/h1-5,7,9-11H,6,8,12H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,17,14,16,3,5,11,18,15,4,10,8,7,9/E:(2,3)(9,10)/rA:18nCCCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.6468
Area:409.56
Solvation:-1.59221
Coulombic:-18.2712
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.23
LogP (Chemaxon):4.49

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