Molecule

ID:6259

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O
Molecular Mass
304.3856
Exact Mass
304.15756327
Charge
0
InChI
InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKey
UVERBUNNCOKGNZ-CQSZACIVSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C
Isomeric Smiles
C(=O)(c1c(C)ccc(c1)N)N[C@H](C)c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
15.47005
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.854568
LogD (pH = 7.4)
3.8624806
Log P
3.8625824
Molar Refractivity
95.2563
Polarizability
36.920544
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.79
LOG S
-5.73
Solubility (Water)
5.72e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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