Molecule

ID:55713

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClN
Molecular Mass
281.86392
Exact Mass
281.19102758
Charge
0
InChI
InChI=1S/C17H27N.ClH/c1-12-3-13(2)11-18(10-12)17-7-14-4-15(8-17)6-16(5-14)9-17;/h3,12,14-16H,4-11H2,1-2H3;1H
InChIKey
ROHRNAXORKSESS-UHFFFAOYSA-N
Canonic Smiles
CC1C=C(C)CN(C1)C12CC3CC(C2)CC(C1)C3.Cl
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)N1CC(C=C(C1)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.034943588
LogD (pH = 7.4)
0.17287105
Log P
3.534262
Molar Refractivity
77.4631
Polarizability
30.45553
Polar Surface Area
3.24
Rotatable Bonds
1
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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