Molecule

ID:45582

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H12N2O2.ClH/c13-10(8-1-4-11-5-2-8)14-9-3-6-12-7-9;/h1-2,4-5,9,12H,3,6-7H2;1H
InChIKey
AZCZYYYGRGACFQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccncc1)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNC1)c1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8837829
LogD (pH = 7.4)
-2.248577
Log P
0.3428488
Molar Refractivity
51.2174
Polarizability
20.181301
Polar Surface Area
51.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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