Molecule

ID:62389

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₂
Molecular Mass
297.7805
Exact Mass
297.12440458
Charge
0
InChI
InChI=1S/C14H19N3O2.ClH/c18-14(17-6-8-19-9-7-17)11-3-4-13(16-10-11)12-2-1-5-15-12;/h3-4,10,12,15H,1-2,5-9H2;1H
InChIKey
MMPLZBHDIFTHDG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(nc1)C1CCCN1)N1CCOCC1.Cl
Isomeric Smiles
C(=O)(c1cnc(C2NCCC2)cc1)N1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.0340302
LogD (pH = 7.4)
-1.7542372
Log P
0.09263983
Molar Refractivity
71.8595
Polarizability
27.763168
Polar Surface Area
54.46
Rotatable Bonds
2
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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