Molecule

ID:116998

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃O
Molecular Mass
183.25078
Exact Mass
183.13716218
Charge
0
InChI
InChI=1S/C9H17N3O/c1-11-6-7-12(9(11)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3
InChIKey
DWFGEKHJKFNGNW-UHFFFAOYSA-N
Canonic Smiles
O=C1N(C)CCN1C1CCNCC1
Isomeric Smiles
C1(=O)N(CCN1C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2170577
LogD (pH = 7.4)
-3.5321095
Log P
-0.9968963
Molar Refractivity
50.9168
Polarizability
19.729588
Polar Surface Area
35.58
Rotatable Bonds
1
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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