Molecule

ID:90664

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₂
Molecular Mass
267.75122
Exact Mass
267.1026065
Charge
0
InChI
InChI=1S/C14H18ClNO2/c1-13(2,3)18-12(17)16-14(7-8-14)10-5-4-6-11(15)9-10/h4-6,9H,7-8H2,1-3H3,(H,16,17)
InChIKey
KHPABPDTLDGOGQ-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CC1)c1cccc(c1)Cl)OC(C)(C)C
Isomeric Smiles
Clc1cc(ccc1)C1(CC1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.253723
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5844896
LogD (pH = 7.4)
3.584489
Log P
3.5844896
Molar Refractivity
71.31
Polarizability
28.101181
Polar Surface Area
38.33
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