Molecule

ID:53206

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c1-15(2)13(16)11-5-3-10(4-6-11)12-7-8-14-9-12;/h3-6,12,14H,7-9H2,1-2H3;1H
InChIKey
GYHNTWYZCAYIOG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C1CCNC1)N(C)C.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)C1CNCC1)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2293835
LogD (pH = 7.4)
-2.0444686
Log P
1.0096883
Molar Refractivity
65.6728
Polarizability
24.927486
Polar Surface Area
32.34
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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