Molecule

ID:18491

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇ClN₂O
Molecular Mass
298.85138
Exact Mass
298.18119117
Charge
0
InChI
InChI=1S/C16H26N2O.ClH/c1-12-11-18(3)13(2)9-16(12)17-10-14-5-7-15(19-4)8-6-14;/h5-8,12-13,16-17H,9-11H2,1-4H3;1H
InChIKey
KMLMRZXMWBVJEZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC1CC(C)N(CC1C)C.Cl
Isomeric Smiles
c1c(ccc(c1)CNC1CC(N(CC1C)C)C)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.360793
LogD (pH = 7.4)
-1.0741664
Log P
2.296628
Molar Refractivity
80.0555
Polarizability
31.771893
Polar Surface Area
24.5
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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