Molecule

ID:62313

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃
Molecular Mass
264.19466
Exact Mass
263.09560298
Charge
0
InChI
InChI=1S/C11H17N3.2ClH/c1-9-13-7-4-10(14-9)11(2)5-3-6-12-8-11;;/h4,7,12H,3,5-6,8H2,1-2H3;2*1H
InChIKey
ITVYYNTVCJSLHW-UHFFFAOYSA-N
Canonic Smiles
Cc1nccc(n1)C1(C)CCCNC1.Cl.Cl
Isomeric Smiles
n1c(C2(CNCCC2)C)ccnc1C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7851874
LogD (pH = 7.4)
-0.64817667
Log P
1.507534
Molar Refractivity
56.7168
Polarizability
22.07267
Polar Surface Area
37.81
Rotatable Bonds
1
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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