Molecule

ID:47050

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₂O
Molecular Mass
270.79822
Exact Mass
270.14989105
Charge
0
InChI
InChI=1S/C14H22N2O.ClH/c1-3-16(4-2)12-6-5-7-13(10-12)17-14-8-9-15-11-14;/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3;1H
InChIKey
GKITWQUXAXEWDP-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OC1CNCC1)CC.Cl
Isomeric Smiles
c1c(N(CC)CC)cccc1OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.071627
LogD (pH = 7.4)
-0.5286157
Log P
2.2210329
Molar Refractivity
71.738
Polarizability
27.686155
Polar Surface Area
24.5
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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