Molecule

ID:43850

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c16-13(17-12-6-2-1-3-7-12)14-8-11-15-9-4-5-10-15;/h1-3,6-7H,4-5,8-11H2,(H,14,16);1H
InChIKey
SVGQJOWNQMQXNW-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1ccccc1)NCCN1CCCC1.Cl
Isomeric Smiles
C(=O)(Oc1ccccc1)NCCN1CCCC1.Cl
Calculated Properties
JChem
Acid pKa
14.641048
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.86640656
LogD (pH = 7.4)
0.9019202
Log P
1.8950793
Molar Refractivity
66.3239
Polarizability
25.893932
Polar Surface Area
41.57
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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