Molecule

ID:30425

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂
Molecular Mass
291.25976
Exact Mass
290.13165414
Charge
0
InChI
InChI=1S/C14H22N2.2ClH/c15-14-7-5-13(6-8-14)9-12-16-10-3-1-2-4-11-16;;/h5-8H,1-4,9-12,15H2;2*1H
InChIKey
SCCXWIUBJMPMJC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCN1CCCCCC1.Cl.Cl
Isomeric Smiles
N1(CCc2ccc(N)cc2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8249555
LogD (pH = 7.4)
-0.015878707
Log P
2.6693127
Molar Refractivity
70.7991
Polarizability
26.963758
Polar Surface Area
29.26
Rotatable Bonds
3
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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