Molecule

ID:65002

General Information
Structure
Molecular Formula
C₁₆H₂₀ClN₃
Molecular Mass
289.8031
Exact Mass
289.13457534
Charge
0
InChI
InChI=1S/C16H19N3.ClH/c17-10-15-7-6-14-12-19(9-8-16(14)18-15)11-13-4-2-1-3-5-13;/h1-7H,8-12,17H2;1H
InChIKey
IYEHYXCLNBRVCV-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(n1)CCN(C2)Cc1ccccc1.Cl
Isomeric Smiles
c1cc(nc2c1CN(CC2)Cc1ccccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3788702
LogD (pH = 7.4)
-0.06725099
Log P
1.6983955
Molar Refractivity
77.7394
Polarizability
30.516455
Polar Surface Area
42.15
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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