Molecule

ID:30292

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₂O₃
Molecular Mass
302.79702
Exact Mass
302.13972029
Charge
0
InChI
InChI=1S/C14H22N2O3.ClH/c1-17-12-9-14(19-3)13(18-2)8-11(12)10-16-6-4-15-5-7-16;/h8-9,15H,4-7,10H2,1-3H3;1H
InChIKey
LVLMPTQSSWHYJY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1CN1CCNCC1)OC.Cl
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)OC)CN1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.2158144
LogD (pH = 7.4)
-0.90142834
Log P
0.90570045
Molar Refractivity
74.7457
Polarizability
29.40957
Polar Surface Area
42.96
Rotatable Bonds
5
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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