Molecule

ID:48888

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O₂
Molecular Mass
284.78174
Exact Mass
284.1291556
Charge
0
InChI
InChI=1S/C14H20N2O2.ClH/c15-13(10-11-4-2-1-3-5-11)14(18)16-8-6-12(17)7-9-16;/h1-5,12-13,17H,6-10,15H2;1H
InChIKey
HPGZDLSERZREQT-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCC(CC1)O)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)O)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
Acid pKa
15.177587
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3554587
LogD (pH = 7.4)
-0.6614737
Log P
0.036084164
Molar Refractivity
70.4562
Polarizability
27.683743
Polar Surface Area
66.56
Rotatable Bonds
3
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