Molecule

ID:124752

General Information
Structure
Molecular Formula
C₉H₁₃ClN₂O
Molecular Mass
200.66532
Exact Mass
200.07164073
Charge
0
InChI
InChI=1S/C9H12N2O.ClH/c1-11(2)9(12)7-5-3-4-6-8(7)10;/h3-6H,10H2,1-2H3;1H
InChIKey
BGDPTOJYZYZLPQ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccccc1N)C.Cl
Isomeric Smiles
C(=O)(c1c(N)cccc1)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0913621
LogD (pH = 7.4)
1.0923003
Log P
1.0923123
Molar Refractivity
49.6302
Polarizability
17.981962
Polar Surface Area
46.33
Rotatable Bonds
1
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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