Molecule

ID:37559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)7-8-3-5-9(12-11)6-4-8;/h3-6,12H,2,7,11H2,1H3;1H
InChIKey
DENTXBGEUCFNQB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)NN.Cl
Isomeric Smiles
c1cc(ccc1NN)CC(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2806419
LogD (pH = 7.4)
1.5016477
Log P
1.5053387
Molar Refractivity
56.59
Polarizability
21.019527
Polar Surface Area
64.35
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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