Molecule
ID:64939
General Information
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8;/h1-4,8H,5-6,11H2,(H,12,13);1H
InChIKey
CRFKLLURQFAICZ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(C1)c1cccc(c1)N.Cl
Isomeric Smiles
c1c(cc(cc1)C1CC(=O)NC1)N.Cl
Calculated Properties
JChem
Acid pKa
14.780187
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.06459263
LogD (pH = 7.4)
0.08990892
Log P
0.090241544
Molar Refractivity
51.5249
Polarizability
19.310518
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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