Molecule

ID:24051

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₂
Molecular Mass
251.1959
Exact Mass
250.10035401
Charge
0
InChI
InChI=1S/C11H18N2.2ClH/c1-13(2)9-8-11(12)10-6-4-3-5-7-10;;/h3-7,11H,8-9,12H2,1-2H3;2*1H
InChIKey
WKKCIFSNAHRFMZ-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CCN(C)C.Cl.Cl
Isomeric Smiles
c1(C(CCN(C)C)N)ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.4626966
LogD (pH = 7.4)
-2.0063162
Log P
1.2373856
Molar Refractivity
57.0861
Polarizability
22.650402
Polar Surface Area
29.26
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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