Molecule

ID:62493

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN₃O
Molecular Mass
247.76488
Exact Mass
247.14514002
Charge
0
InChI
InChI=1S/C11H21N3O.ClH/c12-11(15)9-3-7-14(8-4-9)10-1-5-13-6-2-10;/h9-10,13H,1-8H2,(H2,12,15);1H
InChIKey
RONVCHKQFGWDFZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)C1CCNCC1.Cl
Isomeric Smiles
N1(CCC(C(=O)N)CC1)C1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
16.713804
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.5946417
LogD (pH = 7.4)
-4.4055886
Log P
-0.8999043
Molar Refractivity
60.3486
Polarizability
23.793373
Polar Surface Area
58.36
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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