Molecule

ID:30433

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂
Molecular Mass
286.79916
Exact Mass
286.1236763
Charge
0
InChI
InChI=1S/C17H18N2.ClH/c1-2-6-14(7-3-1)10-11-18-12-15-13-19-17-9-5-4-8-16(15)17;/h1-9,13,18-19H,10-12H2;1H
InChIKey
VAZXFDXPBDVRHV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNCc1c[nH]c2c1cccc2.Cl
Isomeric Smiles
c1(c[nH]c2c1cccc2)CNCCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
15.975948
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.42196357
LogD (pH = 7.4)
1.0854098
Log P
3.643491
Molar Refractivity
79.7601
Polarizability
32.266293
Polar Surface Area
27.82
Rotatable Bonds
5
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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