Molecule

ID:46643

General Information
Structure
Molecular Formula
C₁₅H₂₂ClNO₃
Molecular Mass
299.79308
Exact Mass
299.12882125
Charge
0
InChI
InChI=1S/C15H21NO3.ClH/c1-18-15(17)13-4-6-14(7-5-13)19-10-8-12-3-2-9-16-11-12;/h4-7,12,16H,2-3,8-11H2,1H3;1H
InChIKey
NZOIZZZBDDPIIR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC1CNCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.866343
LogD (pH = 7.4)
-0.49029297
Log P
2.367979
Molar Refractivity
74.1219
Polarizability
29.110073
Polar Surface Area
47.56
Rotatable Bonds
6
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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