Molecule

ID:101827

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-11-12-7-8-3-5-9(6-4-8)10(13)14-2;/h3-6,11-12H,7H2,1-2H3;1H
InChIKey
BYYZMFVFBAJAMY-UHFFFAOYSA-N
Canonic Smiles
CNNCc1ccc(cc1)C(=O)OC.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)CNNC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.80888057
LogD (pH = 7.4)
1.1352592
Log P
1.1415119
Molar Refractivity
75.8611
Polarizability
21.277155
Polar Surface Area
50.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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