Molecule

ID:48197

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂
Molecular Mass
291.25976
Exact Mass
290.13165414
Charge
0
InChI
InChI=1S/C14H22N2.2ClH/c1-16(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15-14;;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;2*1H
InChIKey
MRVOXYPVNJFCSU-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CC1CCCCN1.Cl.Cl
Isomeric Smiles
N1C(CN(Cc2ccccc2)C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8870143
LogD (pH = 7.4)
-0.12598142
Log P
2.4603724
Molar Refractivity
69.1373
Polarizability
27.447323
Polar Surface Area
15.27
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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