Molecule

ID:48909

General Information
Structure
Molecular Formula
C₁₁H₁₉ClN₂O
Molecular Mass
230.73436
Exact Mass
230.11859092
Charge
0
InChI
InChI=1S/C11H18N2O.ClH/c1-3-8-13(9-4-2)11(14)10-6-5-7-12-10;/h3-4,10,12H,1-2,5-9H2;1H
InChIKey
HUXYAOGLWYHVHH-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C(=O)C1CCCN1)CC=C.Cl
Isomeric Smiles
C(=O)(N(CC=C)CC=C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.20113
LogD (pH = 7.4)
-1.3516928
Log P
1.0057677
Molar Refractivity
58.0053
Polarizability
22.516163
Polar Surface Area
32.34
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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