Molecule

ID:45599

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈Cl₂N₂O₂
Molecular Mass
305.20022
Exact Mass
304.07453319
Charge
0
InChI
InChI=1S/C13H17ClN2O2.ClH/c14-11-3-6-16-12(8-11)13(17)18-7-4-10-2-1-5-15-9-10;/h3,6,8,10,15H,1-2,4-5,7,9H2;1H
InChIKey
LQBOLCVZGGZMAC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)C(=O)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(C(=O)OCCC2CNCCC2)cc(ccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1364677
LogD (pH = 7.4)
-0.760399
Log P
2.097873
Molar Refractivity
69.9346
Polarizability
27.599789
Polar Surface Area
51.22
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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