Molecule

ID:48880

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O
Molecular Mass
280.79304
Exact Mass
280.13424098
Charge
0
InChI
InChI=1S/C15H20N2O.ClH/c1-3-10-17(11-4-2)15(18)14(16)12-13-8-6-5-7-9-13;/h3-9,14H,1-2,10-12,16H2;1H
InChIKey
CZVXCKKVJBOBLV-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C(=O)C(Cc1ccccc1)N)CC=C.Cl
Isomeric Smiles
C(=O)(C(Cc1ccccc1)N)N(CC=C)CC=C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21048062
LogD (pH = 7.4)
1.4835232
Log P
2.180524
Molar Refractivity
75.0573
Polarizability
29.183867
Polar Surface Area
46.33
Rotatable Bonds
7
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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