Molecule

ID:31012

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-3-2-8-14(9-10)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9,13H2,1H3
InChIKey
IKOVMWFMUDURMX-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(N)cc2)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.595202
LogD (pH = 7.4)
2.1671243
Log P
2.4677026
Molar Refractivity
61.8006
Polarizability
22.949385
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation