Molecule

ID:36978

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-9(2)6-7-4-3-5-8-7/h3-5,8H,6H2,1-2H3
InChIKey
BJIDGKXFJLYGNA-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccc[nH]1)C
Isomeric Smiles
[nH]1c(ccc1)CN(C)C
Calculated Properties
JChem
Acid pKa
17.218117
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9566046
LogD (pH = 7.4)
-0.20448875
Log P
0.91452783
Molar Refractivity
39.237
Polarizability
15.099955
Polar Surface Area
19.03
Rotatable Bonds
2
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