Molecule

ID:136379

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₃
Molecular Mass
283.75062
Exact Mass
283.09752112
Charge
0
InChI
InChI=1S/C14H18ClNO3/c1-2-19-13(17)7-14(9-18-10-14)16-8-11-4-3-5-12(15)6-11/h3-6,16H,2,7-10H2,1H3
InChIKey
IDFHLCJAYJHJCD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)NCc1cccc(c1)Cl
Isomeric Smiles
CCOC(=O)CC1(COC1)NCc1cccc(c1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4996248
LogD (pH = 7.4)
1.9357564
Log P
2.1183727
Molar Refractivity
73.0468
Polarizability
29.198942
Polar Surface Area
47.56
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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