Molecule

ID:48927

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c1-2-16(11-12-7-4-3-5-8-12)14(17)13-9-6-10-15-13;/h3-5,7-8,13,15H,2,6,9-11H2,1H3;1H
InChIKey
VLVUZDPPKKYFHO-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCN1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5823853
LogD (pH = 7.4)
-0.7333213
Log P
1.6245492
Molar Refractivity
69.0411
Polarizability
27.072113
Polar Surface Area
32.34
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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