Molecule

ID:124842

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN₃
Molecular Mass
253.771
Exact Mass
253.13457534
Charge
0
InChI
InChI=1S/C13H19N3.ClH/c1-10(2)9-16-12-6-4-3-5-11(12)15-13(16)7-8-14;/h3-6,10H,7-9,14H2,1-2H3;1H
InChIKey
LANPIOPVQFNPGW-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(n1CC(C)C)cccc2.Cl
Isomeric Smiles
n1(c(nc2c1cccc2)CCN)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0797768
LogD (pH = 7.4)
-0.030425282
Log P
2.163431
Molar Refractivity
66.1092
Polarizability
27.128368
Polar Surface Area
43.84
Rotatable Bonds
4
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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