Molecule

ID:62390

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂N₃O
Molecular Mass
306.23134
Exact Mass
305.10616767
Charge
0
InChI
InChI=1S/C13H19N3O.2ClH/c1-16(2)13(17)11-5-6-12(15-9-11)10-4-3-7-14-8-10;;/h5-6,9-10,14H,3-4,7-8H2,1-2H3;2*1H
InChIKey
OEMJWHYWTGWJHA-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccc(nc1)C1CCCNC1)C.Cl.Cl
Isomeric Smiles
C(=O)(c1cnc(C2CNCCC2)cc1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7510743
LogD (pH = 7.4)
-1.7982363
Log P
0.44442132
Molar Refractivity
67.642
Polarizability
25.871298
Polar Surface Area
45.23
Rotatable Bonds
2
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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