Molecule

ID:74379

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃O
Molecular Mass
183.25078
Exact Mass
183.13716218
Charge
0
InChI
InChI=1S/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2
InChIKey
YKELOMQESZMHBK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)N1CCNCC1
Isomeric Smiles
N1CCN(C(=O)N2CCCC2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8705256
LogD (pH = 7.4)
-1.1571472
Log P
-0.5992605
Molar Refractivity
51.0258
Polarizability
19.729588
Polar Surface Area
35.58
Rotatable Bonds
0
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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