Molecule

ID:48720

General Information
Structure
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H14N2O.ClH/c1-12(10(13)7-11)8-9-5-3-2-4-6-9;/h2-6H,7-8,11H2,1H3;1H
InChIKey
PZOPYGOMHJPDDQ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N(Cc1ccccc1)C.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.270493
LogD (pH = 7.4)
-0.58640486
Log P
0.21740708
Molar Refractivity
52.2316
Polarizability
20.428307
Polar Surface Area
46.33
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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