Molecule

ID:58021

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO₃
Molecular Mass
295.76132
Exact Mass
295.09752112
Charge
0
InChI
InChI=1S/C15H18ClNO3/c1-20-14(18)10-11-6-8-17(9-7-11)15(19)12-2-4-13(16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKey
HHNCYRUNPVNUQH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)C(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(N1CCC(CC(=O)OC)CC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.282888
LogD (pH = 7.4)
2.2828891
Log P
2.2828891
Molar Refractivity
77.4607
Polarizability
29.838997
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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