Molecule

ID:46281

General Information
Structure
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-2-19-16(18)13-6-8-15(9-7-13)20-12-10-14-5-3-4-11-17-14;/h6-9,14,17H,2-5,10-12H2,1H3;1H
InChIKey
LNMSBLBRMBIIGI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC1NCCCC1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.44398573
LogD (pH = 7.4)
0.14891681
Log P
2.781549
Molar Refractivity
78.6971
Polarizability
30.951256
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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