Molecule

ID:34572

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N
Molecular Mass
137.2221
Exact Mass
137.12044949
Charge
0
InChI
InChI=1S/C9H15N/c1-7-2-3-8-5-10-6-9(8)4-7/h2,8-10H,3-6H2,1H3/t8-,9+/m0/s1
InChIKey
OVBKKDSRBCCWSP-DTWKUNHWSA-N
Canonic Smiles
CC1=CC[C@@H]2[C@H](C1)CNC2
Isomeric Smiles
N1C[C@@H]2[C@H](C1)CC=C(C2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9917221
LogD (pH = 7.4)
-1.9482225
Log P
1.2497157
Molar Refractivity
43.976
Polarizability
17.164604
Polar Surface Area
12.03
Rotatable Bonds
0
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