Molecule

ID:16146

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N₃O₃
Molecular Mass
205.25476
Exact Mass
205.14264148
Charge
0
InChI
InChI=1S/C7H17N3.CH2O3/c1-9-4-6-10(3-2-8)7-5-9;2-1(3)4/h2-8H2,1H3;(H2,2,3,4)
InChIKey
PCLITRYKAWVUNX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)O.NCCN1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)CCN)C.O=C(O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.3411307
LogD (pH = 7.4)
-3.55086
Log P
-0.75969476
Molar Refractivity
43.988
Polarizability
17.48637
Polar Surface Area
32.5
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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