Molecule

ID:54777

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃ClN₂
Molecular Mass
290.83092
Exact Mass
290.15497643
Charge
0
InChI
InChI=1S/C17H22N2.ClH/c1-11(2)12-6-7-16-14(10-12)13-4-3-5-15-17(13)19(16)9-8-18-15;/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3;1H
InChIKey
YBRMARXUDVZLBX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)c1CCCC3c1n2CCN3)C.Cl
Isomeric Smiles
n12c3c(c4c1ccc(c4)C(C)C)CCCC3NCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.93417853
LogD (pH = 7.4)
2.55106
Log P
3.8363109
Molar Refractivity
79.5703
Polarizability
32.02854
Polar Surface Area
16.96
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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