Molecule

ID:48837

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c1-10(2)13(15)14(17)16-8-7-11-5-3-4-6-12(11)9-16;/h3-6,10,13H,7-9,15H2,1-2H3;1H
InChIKey
VZIJJLCMQNUCFH-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)N1CCc2c(C1)cccc2)N)C.Cl
Isomeric Smiles
N1(C(=O)C(N)C(C)C)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0055794
LogD (pH = 7.4)
0.5792114
Log P
1.7135551
Molar Refractivity
69.0307
Polarizability
27.069118
Polar Surface Area
46.33
Rotatable Bonds
2
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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