Molecule

ID:61474

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O
Molecular Mass
185.26666
Exact Mass
185.15281224
Charge
0
InChI
InChI=1S/C9H19N3O/c1-9(13)12-5-2-4-11(6-3-10)7-8-12/h2-8,10H2,1H3
InChIKey
RYUJXKQEZJLFDB-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCN(CC1)C(=O)C
Isomeric Smiles
N1(CCN(CCC1)CCN)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.109949
LogD (pH = 7.4)
-3.4542122
Log P
-1.4728407
Molar Refractivity
53.1246
Polarizability
20.839008
Polar Surface Area
49.57
Rotatable Bonds
2
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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