Molecule

ID:48971

General Information
Structure
Molecular Formula
C₁₁H₂₂ClN₃O
Molecular Mass
247.76488
Exact Mass
247.14514002
Charge
0
InChI
InChI=1S/C11H21N3O.ClH/c1-13-5-7-14(8-6-13)11(15)10-3-2-4-12-9-10;/h10,12H,2-9H2,1H3;1H
InChIKey
CKZYKKBXOVPPDU-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)C)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.107607
LogD (pH = 7.4)
-2.771403
Log P
-0.47633126
Molar Refractivity
60.587
Polarizability
23.793373
Polar Surface Area
35.58
Rotatable Bonds
1
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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