Molecule

ID:55712

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClN
Molecular Mass
281.86392
Exact Mass
281.19102758
Charge
0
InChI
InChI=1S/C17H27N.ClH/c1-12-3-4-18(11-13(12)2)17-8-14-5-15(9-17)7-16(6-14)10-17;/h14-16H,3-11H2,1-2H3;1H
InChIKey
FTZCMLFNWHNFPP-UHFFFAOYSA-N
Canonic Smiles
CC1=C(C)CN(CC1)C12CC3CC(C2)CC(C1)C3.Cl
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)N1CCC(=C(C1)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.085666426
LogD (pH = 7.4)
0.10566312
Log P
3.4126503
Molar Refractivity
77.2735
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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