Molecule

ID:48907

General Information
Structure
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-3-4-8-12(2)10(13)9-6-5-7-11-9;/h9,11H,3-8H2,1-2H3;1H
InChIKey
PMVDPPFMGGSACD-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C1CCCN1)C.Cl
Isomeric Smiles
C(=O)(N(CCCC)C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3398392
LogD (pH = 7.4)
-1.4915072
Log P
0.8671671
Molar Refractivity
53.5535
Polarizability
21.152966
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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