Molecule

ID:24285

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O
Molecular Mass
212.67602
Exact Mass
212.07164073
Charge
0
InChI
InChI=1S/C10H13ClN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKey
QRFDCILODKNAHH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNCc1ccccc1Cl
Isomeric Smiles
C(=O)(CCNCc1c(Cl)cccc1)N
Calculated Properties
JChem
Acid pKa
15.444703
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.666881
LogD (pH = 7.4)
0.03986716
Log P
1.0436927
Molar Refractivity
56.717
Polarizability
22.297092
Polar Surface Area
55.12
Rotatable Bonds
5
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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