Molecule

ID:48712

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN₃O
Molecular Mass
193.67444
Exact Mass
193.09818983
Charge
0
InChI
InChI=1S/C7H15N3O.ClH/c1-9-2-4-10(5-3-9)7(11)6-8;/h2-6,8H2,1H3;1H
InChIKey
SGUQVKZDADLIRG-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCN(CC1)C.Cl
Isomeric Smiles
N1(C(=O)CN)CCN(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.374738
LogD (pH = 7.4)
-2.5551424
Log P
-1.6599464
Molar Refractivity
43.6691
Polarizability
17.160337
Polar Surface Area
49.57
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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