Molecule

ID:61974

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2
InChIKey
DIFGFCHLYHBEMH-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N1CCCC1
Isomeric Smiles
N1(C(c2ccccc2)CN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9826365
LogD (pH = 7.4)
-0.73152626
Log P
1.5832233
Molar Refractivity
59.7617
Polarizability
23.752638
Polar Surface Area
29.26
Rotatable Bonds
3
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