Molecule

ID:89319

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN
Molecular Mass
273.8004
Exact Mass
273.12842733
Charge
0
InChI
InChI=1S/C17H19N.ClH/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;/h1-6,8-11,16-18H,7,12-13H2;1H/t16-;/m0./s1
InChIKey
KTGRJTGIWVDSKZ-NTISSMGPSA-N
Canonic Smiles
C1CN[C@@H](C1)C(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
N1[C@@H](CCC1)C(c1ccccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.54428446
LogD (pH = 7.4)
0.6608741
Log P
3.7845972
Molar Refractivity
75.8388
Polarizability
29.953854
Polar Surface Area
12.03
Rotatable Bonds
3
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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