Molecule

ID:121243

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H14N2O.ClH/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13;/h1-5,12H,6-9H2;1H
InChIKey
KSVFXAZDBKITEF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)N1CCNCC1.Cl
Isomeric Smiles
C(=O)(N1CCNCC1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5387014
LogD (pH = 7.4)
0.17518878
Log P
0.7353099
Molar Refractivity
55.6852
Polarizability
21.321924
Polar Surface Area
32.34
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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