Molecule

ID:35375

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-6-4-10-5-8(11)2-7(10)3-9-6/h6-9,11H,2-5H2,1H3/t6-,7?,8+/m0/s1
InChIKey
XQEKTFPFYZIXMT-YPVSKDHRSA-N
Canonic Smiles
C[C@@H]1NCC2N(C1)C[C@@H](C2)O
Isomeric Smiles
N12C(C[C@H](C1)O)CN[C@H](C2)C
Calculated Properties
JChem
Acid pKa
14.835367
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.32049
LogD (pH = 7.4)
-3.3474276
Log P
-0.6113169
Molar Refractivity
43.6914
Polarizability
17.678791
Polar Surface Area
35.5
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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