Molecule

ID:119121

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h3-7H2,1-2H3/t9-,10+
InChIKey
XGTRHKDYLMRKHW-AOOOYVTPSA-N
Canonic Smiles
O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3
Isomeric Smiles
[C@]12(C(=O)[C@@]3(CN(C2)CN(C1)C3)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.06157913
LogD (pH = 7.4)
0.93779886
Log P
0.9754912
Molar Refractivity
50.4699
Polarizability
20.086933
Polar Surface Area
23.55
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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