Molecule

ID:38242

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c17-14(12-6-2-1-3-7-12)16-11-9-13-8-4-5-10-15-13;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H
InChIKey
WTTFQTTYDNNKKI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(c1ccccc1)NCCC1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.008274
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5772122
LogD (pH = 7.4)
-1.0918756
Log P
1.6532516
Molar Refractivity
69.4351
Polarizability
26.85277
Polar Surface Area
41.13
Rotatable Bonds
4
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