Molecule

ID:46768

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-19-16(18)15-7-3-2-6-14(15)12-20-10-8-13-5-4-9-17-11-13;/h2-3,6-7,13,17H,4-5,8-12H2,1H3;1H
InChIKey
CUTNRNWOIBKPHC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1c(COCCC2CNCCC2)cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8328953
LogD (pH = 7.4)
-0.45685238
Log P
2.401427
Molar Refractivity
79.2258
Polarizability
30.962313
Polar Surface Area
47.56
Rotatable Bonds
7
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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