Molecule

ID:55518

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClFN
Molecular Mass
229.7214832
Exact Mass
229.10335545
Charge
0
InChI
InChI=1S/C12H16FN.ClH/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
InChIKey
OJKWWANXBGLGQN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CC1CCNCC1.Cl
Isomeric Smiles
c1c(ccc(c1)CC1CCNCC1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.56598496
LogD (pH = 7.4)
-0.109075055
Log P
2.6655812
Molar Refractivity
56.2964
Polarizability
21.745716
Polar Surface Area
12.03
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