Chemical ID: 6182625

COc1ccc(cc1)NC2(CCCCC2)C#N
Chemical ID:
6182625
Name [?]:
1-(4-methoxyphenyl)aminocyclohexane-1-carbonitrile
SMILES [?]:
COc1ccc(cc1)NC2(CCCCC2)C#N
InChi [?]:
InChI=1/C14H18N2O/c1-17-13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,5,7,4,8,11,15,16,6,3,10,17,9,2/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCOCCCCCCNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s10;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.6621
Area:408.768
Solvation:-2.55711
Coulombic:-23.8609
Bond Count [?]
All:18
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.66
LogP (Chemaxon):2.82

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