Molecule

ID:48993

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-3-4-9-13(2)11(14)10-5-7-12-8-6-10;/h10,12H,3-9H2,1-2H3;1H
InChIKey
ABHZZRUXGGBGKD-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(N(CCCC)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3814323
LogD (pH = 7.4)
-1.7969949
Log P
0.8445407
Molar Refractivity
58.5645
Polarizability
22.99533
Polar Surface Area
32.34
Rotatable Bonds
4
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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