Molecule
ID:120015
General Information
Molecular Formula
C₈H₁₉N₃O
Molecular Mass
173.25596
Exact Mass
173.15281224
Charge
0
InChI
InChI=1S/C8H19N3O/c1-10-2-4-11(5-3-10)7-8(12)6-9/h8,12H,2-7,9H2,1H3
InChIKey
WOXWEGSDODHEHK-UHFFFAOYSA-N
Canonic Smiles
NCC(CN1CCN(CC1)C)O
Isomeric Smiles
N1(CC(O)CN)CCN(CC1)C
Calculated Properties
JChem
Acid pKa
14.533107
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-6.803397
LogD (pH = 7.4)
-4.1600647
Log P
-1.3900297
Molar Refractivity
49.9505
Polarizability
19.934505
Polar Surface Area
52.73
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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