Molecule

ID:8462

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5-6,11H2,1-2H3
InChIKey
VQGZTRKXOUWMAC-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1C)C
Isomeric Smiles
c1c(cc(c(c1)CCN)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5970621
LogD (pH = 7.4)
0.08241005
Log P
2.414518
Molar Refractivity
49.3688
Polarizability
19.046846
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