Molecule

ID:48871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-13(2)11(14)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,8,12H2,1-2H3;1H
InChIKey
NTFPAOHCUPWJNQ-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N(C)C)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(C(Cc1ccccc1)N)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6740122
LogD (pH = 7.4)
0.019955382
Log P
0.71802455
Molar Refractivity
56.7319
Polarizability
22.27462
Polar Surface Area
46.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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