Molecule

ID:119041

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-4-9-13-5-11(2)6-14(9)8-12(3,7-13)10(11)15/h9H,4-8H2,1-3H3/t9-,11-,12+
InChIKey
AOPSNAPMPFYZHX-WLLOZRIZSA-N
Canonic Smiles
CC[C@@H]1N2C[C@@]3(CN1C[C@](C2)(C3=O)C)C
Isomeric Smiles
[C@]12(C(=O)[C@@]3(CN([C@@H](N(C1)C3)CC)C2)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.39179417
LogD (pH = 7.4)
1.7141327
Log P
1.8418972
Molar Refractivity
59.781
Polarizability
23.770414
Polar Surface Area
23.55
Rotatable Bonds
1
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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