Molecule

ID:62844

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃
Molecular Mass
264.19466
Exact Mass
263.09560298
Charge
0
InChI
InChI=1S/C11H17N3.2ClH/c1-14(2)11-7-3-5-10(13-11)9-6-4-8-12-9;;/h3,5,7,9,12H,4,6,8H2,1-2H3;2*1H
InChIKey
FGGHBVOFLVAJHW-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)C1CCCN1)C.Cl.Cl
Isomeric Smiles
n1c(N(C)C)cccc1C1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.456993
LogD (pH = 7.4)
-0.33784795
Log P
1.7156492
Molar Refractivity
58.6553
Polarizability
22.420004
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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