Molecule

ID:48004

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂
Molecular Mass
291.25976
Exact Mass
290.13165414
Charge
0
InChI
InChI=1S/C14H22N2.2ClH/c1-2-16(14-9-6-10-15-11-14)12-13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12H2,1H3;2*1H
InChIKey
HANFHSPHDXDODT-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CCCNC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N(Cc1ccccc1)(C1CNCCC1)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3673527
LogD (pH = 7.4)
-0.2606529
Log P
2.3726118
Molar Refractivity
69.2849
Polarizability
27.447319
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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