Molecule

ID:76196

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂
Molecular Mass
251.1959
Exact Mass
250.10035401
Charge
0
InChI
InChI=1S/C11H18N2.2ClH/c1-12-11(9-13(2)3)10-7-5-4-6-8-10;;/h4-8,11-12H,9H2,1-3H3;2*1H
InChIKey
VIDOQUPWQUUABD-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccccc1)CN(C)C.Cl.Cl
Isomeric Smiles
N(CC(c1ccccc1)NC)(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3084447
LogD (pH = 7.4)
-0.39303514
Log P
1.6100062
Molar Refractivity
56.9953
Polarizability
22.650187
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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