Molecule

ID:55788

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₂
Molecular Mass
297.7805
Exact Mass
297.12440458
Charge
0
InChI
InChI=1S/C14H19N3O2.ClH/c1-10-6-11(2)8-12(7-10)18-9-14-16-13(17-19-14)4-5-15-3;/h6-8,15H,4-5,9H2,1-3H3;1H
InChIKey
KEAWALIRVJDVMX-UHFFFAOYSA-N
Canonic Smiles
CNCCc1noc(n1)COc1cc(C)cc(c1)C.Cl
Isomeric Smiles
n1oc(nc1CCNC)COc1cc(cc(c1)C)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.57861745
LogD (pH = 7.4)
0.70428306
Log P
2.674581
Molar Refractivity
74.6174
Polarizability
28.051361
Polar Surface Area
60.18
Rotatable Bonds
6
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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