Molecule

ID:66957

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O
Molecular Mass
280.3642
Exact Mass
280.15756327
Charge
0
InChI
InChI=1S/C18H20N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,19,21)/t16-/m1/s1
InChIKey
IVJSBKKYHVODFT-MRXNPFEDSA-N
Canonic Smiles
NC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CNCC1
Isomeric Smiles
N1C[C@@H](CC1)C(C(=O)N)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.296299
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.97751963
LogD (pH = 7.4)
-0.8098724
Log P
2.2618847
Molar Refractivity
83.9396
Polarizability
33.00117
Polar Surface Area
55.12
Rotatable Bonds
4
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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