Molecule

ID:33131

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O
Molecular Mass
244.3321
Exact Mass
244.15756327
Charge
0
InChI
InChI=1S/C15H20N2O/c1-10-2-7-14-13(8-10)17-15(18-14)12-5-3-11(9-16)4-6-12/h2,7-8,11-12H,3-6,9,16H2,1H3/t11-,12-
InChIKey
DAZIVKWNLZVHJC-HAQNSBGRSA-N
Canonic Smiles
NC[C@@H]1CC[C@H](CC1)c1nc2c(o1)ccc(c2)C
Isomeric Smiles
n1c(oc2c1cc(cc2)C)[C@@H]1CC[C@H](CC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13304122
LogD (pH = 7.4)
0.27789852
Log P
2.891266
Molar Refractivity
71.465
Polarizability
29.227297
Polar Surface Area
52.05
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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