Molecule

ID:74604

General Information
Structure
Molecular Formula
C₉H₁₇N₃O₂
Molecular Mass
199.25018
Exact Mass
199.1320768
Charge
0
InChI
InChI=1S/C9H17N3O2/c1-2-3-10-9(14)12-6-4-11(8-13)5-7-12/h8H,2-7H2,1H3,(H,10,14)
InChIKey
LOTMTMPSDWSWSV-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)N1CCN(CC1)C=O
Isomeric Smiles
N1(C(=O)NCCC)CCN(CC1)C=O
Calculated Properties
JChem
Acid pKa
15.435606
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.78816074
LogD (pH = 7.4)
-0.78816015
Log P
-0.7881601
Molar Refractivity
52.9361
Polarizability
20.18305
Polar Surface Area
52.65
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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