Molecule

ID:48769

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClN₃O
Molecular Mass
207.70102
Exact Mass
207.11383989
Charge
0
InChI
InChI=1S/C8H17N3O.ClH/c1-9-7-8(12)11-5-3-10(2)4-6-11;/h9H,3-7H2,1-2H3;1H
InChIKey
TXUITTSYSZXADO-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCN(CC1)C.Cl
Isomeric Smiles
N1(C(=O)CNC)CCN(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.429935
LogD (pH = 7.4)
-2.7341073
Log P
-1.2273661
Molar Refractivity
48.4437
Polarizability
18.999018
Polar Surface Area
35.58
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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