Molecule

ID:48826

General Information
Structure
Molecular Formula
C₁₀H₂₂ClN₃O
Molecular Mass
235.75418
Exact Mass
235.14514002
Charge
0
InChI
InChI=1S/C10H21N3O.ClH/c1-8(2)9(11)10(14)13-6-4-12(3)5-7-13;/h8-9H,4-7,11H2,1-3H3;1H
InChIKey
JGKLCLXRWIBQPT-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C(C(C)C)N.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)C)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.333502
LogD (pH = 7.4)
-1.4568567
Log P
-0.203687
Molar Refractivity
57.1586
Polarizability
22.680025
Polar Surface Area
49.57
Rotatable Bonds
2
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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