Molecule

ID:71033

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂
Molecular Mass
251.1959
Exact Mass
250.10035401
Charge
0
InChI
InChI=1S/C11H18N2.2ClH/c1-11(2,9-12)13-8-10-6-4-3-5-7-10;;/h3-7,13H,8-9,12H2,1-2H3;2*1H
InChIKey
RWGVBNNHRZVBST-UHFFFAOYSA-N
Canonic Smiles
NCC(NCc1ccccc1)(C)C.Cl.Cl
Isomeric Smiles
N(C(CN)(C)C)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.319986
LogD (pH = 7.4)
-1.0775821
Log P
1.4317626
Molar Refractivity
56.3128
Polarizability
22.650883
Polar Surface Area
38.05
Rotatable Bonds
4
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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