Molecule

ID:47633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c11-7-1-2-10(9(12)5-7)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2
InChIKey
QNNVZKXADLERMM-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)c1ccc(cc1N)Cl
Isomeric Smiles
N1(c2c(cc(cc2)Cl)N)CC(CC1)O
Calculated Properties
JChem
Acid pKa
14.832549
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1125649
LogD (pH = 7.4)
1.1144837
Log P
1.1145083
Molar Refractivity
58.8507
Polarizability
21.736599
Polar Surface Area
49.49
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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