Molecule

ID:84777

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO
Molecular Mass
251.75182
Exact Mass
251.10769188
Charge
0
InChI
InChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey
WDAVIQBJLVXQGA-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(c1ccccc1)C1CCCCC1
Isomeric Smiles
N(c1ccccc1)(C1CCCCC1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
16.766827
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4116366
LogD (pH = 7.4)
3.4116366
Log P
3.4116366
Molar Refractivity
69.8043
Polarizability
27.344086
Polar Surface Area
20.31
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