Molecule

ID:62383

General Information
Structure
Molecular Formula
C₁₃H₂₃Cl₂N₃
Molecular Mass
292.24782
Exact Mass
291.12690311
Charge
0
InChI
InChI=1S/C13H21N3.2ClH/c1-10-7-12(16(2)3)8-13(15-10)11-5-4-6-14-9-11;;/h7-8,11,14H,4-6,9H2,1-3H3;2*1H
InChIKey
LULRUQYMSYKFNO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(n1)C1CCCNC1)N(C)C.Cl.Cl
Isomeric Smiles
c1(nc(cc(c1)N(C)C)C)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4452283
LogD (pH = 7.4)
-1.2826757
Log P
1.3858429
Molar Refractivity
67.7903
Polarizability
25.95104
Polar Surface Area
28.16
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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