Molecule

ID:19335

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-7,10H2,(H2,11,13)
InChIKey
SZYRASLRZWJIEC-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCC(CC1)C(=O)N
Isomeric Smiles
C(=O)(C1CCN(CC1)CCCN)N
Calculated Properties
JChem
Acid pKa
16.798998
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-7.167422
LogD (pH = 7.4)
-5.0021577
Log P
-1.2806866
Molar Refractivity
53.0074
Polarizability
20.839008
Polar Surface Area
72.35
Rotatable Bonds
4
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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