Molecule

ID:123454

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c1-10-4-3-9(13)12-7-5-11(2)6-8-12/h10H,3-8H2,1-2H3
InChIKey
YWIINESWJWUPGZ-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)N1CCN(CC1)C
Isomeric Smiles
N1(C(=O)CCNC)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.744496
LogD (pH = 7.4)
-3.3449683
Log P
-0.99035335
Molar Refractivity
53.1431
Polarizability
20.839008
Polar Surface Area
35.58
Rotatable Bonds
3
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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