Molecule

ID:48056

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₃Cl₂N₃O
Molecular Mass
272.21512
Exact Mass
271.12181773
Charge
0
InChI
InChI=1S/C10H21N3O.2ClH/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10;;/h10-11,14H,1-9H2;2*1H
InChIKey
VYFWUDLACQFOIT-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C1CCNC1.Cl.Cl
Isomeric Smiles
N1(CCN(CC1)CCO)C1CCNC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593104
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-6.616579
LogD (pH = 7.4)
-4.6424584
Log P
-1.0690145
Molar Refractivity
57.6215
Polarizability
22.88938
Polar Surface Area
38.74
Rotatable Bonds
3
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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