Molecule

ID:62682

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClN₂O₂
Molecular Mass
252.69682
Exact Mass
252.06655535
Charge
0
InChI
InChI=1S/C12H13ClN2O2/c13-9-1-3-10(4-2-9)15-8-12(17-11(15)16)5-6-14-7-12/h1-4,14H,5-8H2
InChIKey
OLUPLTNOOIZEHH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)N1CC2(OC1=O)CNCC2
Isomeric Smiles
C1(=O)N(CC2(O1)CCNC2)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5913644
LogD (pH = 7.4)
-1.002902
Log P
1.6344002
Molar Refractivity
63.6769
Polarizability
25.230663
Polar Surface Area
41.57
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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