Molecule

ID:14554

General Information
Structure
Molecular Formula
C₁₈H₂₇ClN₂
Molecular Mass
306.87338
Exact Mass
306.18627655
Charge
0
InChI
InChI=1S/C18H26N2.ClH/c1-13(20-12-14-3-2-4-19-11-14)18-8-15-5-16(9-18)7-17(6-15)10-18;/h2-4,11,13,15-17,20H,5-10,12H2,1H3;1H
InChIKey
OQCCKDOTHFZVEQ-UHFFFAOYSA-N
Canonic Smiles
CC(C12CC3CC(C2)CC(C1)C3)NCc1cccnc1.Cl
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)C(NCc1cccnc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.044298824
LogD (pH = 7.4)
0.8814087
Log P
3.1563869
Molar Refractivity
81.7524
Polarizability
32.74145
Polar Surface Area
24.92
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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