Molecule

ID:45602

General Information
Structure
Molecular Formula
C₁₀H₁₂Cl₂N₂O₂
Molecular Mass
263.12048
Exact Mass
262.02758299
Charge
0
InChI
InChI=1S/C10H11ClN2O2.ClH/c11-7-1-4-13-9(5-7)10(14)15-8-2-3-12-6-8;/h1,4-5,8,12H,2-3,6H2;1H
InChIKey
FEAICCGHTUEXGO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)C(=O)OC1CNCC1.Cl
Isomeric Smiles
C(=O)(c1cc(ccn1)Cl)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.090671
LogD (pH = 7.4)
-1.45861
Log P
1.1327438
Molar Refractivity
55.6502
Polarizability
22.103994
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
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Molecule Details
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References
Bioactivity
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