Molecule

ID:62812

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)12-7-3-6-11(15-12)10-5-4-8-14-9-10;;/h3,6-7,10,14H,4-5,8-9H2,1-2H3;2*1H
InChIKey
RGMJJYHJWHCIOU-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cccc(n1)C1CCCNC1)C.Cl.Cl
Isomeric Smiles
n1c(C(=O)N(C)C)cccc1C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3659313
LogD (pH = 7.4)
-1.42077
Log P
0.83027166
Molar Refractivity
67.27
Polarizability
25.876396
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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