Molecule

ID:34085

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄Cl₂N₂O
Molecular Mass
295.24846
Exact Mass
294.12656876
Charge
0
InChI
InChI=1S/C13H22N2O.2ClH/c1-9(2)6-14-8-12-11(4)13(16-5)10(3)7-15-12;;/h7,9,14H,6,8H2,1-5H3;2*1H
InChIKey
GELJNVBMEYMYDE-UHFFFAOYSA-N
Canonic Smiles
COc1c(C)cnc(c1C)CNCC(C)C.Cl.Cl
Isomeric Smiles
c1(cnc(c(c1OC)C)CNCC(C)C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4495512
LogD (pH = 7.4)
1.0856708
Log P
2.5088687
Molar Refractivity
66.9167
Polarizability
26.215752
Polar Surface Area
34.15
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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