Molecule

ID:30730

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2
InChIKey
AUOZFCSMXYBIQW-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCC1)c1ccccc1
Isomeric Smiles
C1(c2ccccc2)(CN)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.874625
LogD (pH = 7.4)
0.078545295
Log P
2.111492
Molar Refractivity
50.9549
Polarizability
20.310333
Polar Surface Area
26.02
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