Molecule

ID:55526

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H12N2O.ClH/c1-6-4-3-5-7-8(11)10(13)12(2)9(6)7;/h3-5,8H,11H2,1-2H3;1H
InChIKey
WYWDOYTVWFIKFM-UHFFFAOYSA-N
Canonic Smiles
O=C1C(N)c2c(N1C)c(C)ccc2.Cl
Isomeric Smiles
N1(C(=O)C(c2c1c(ccc2)C)N)C.Cl
Calculated Properties
JChem
Acid pKa
14.540286
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3750935
LogD (pH = 7.4)
0.2509719
Log P
0.6274974
Molar Refractivity
50.7377
Polarizability
19.603142
Polar Surface Area
46.33
Rotatable Bonds
0
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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