Molecule

ID:4896

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O
Molecular Mass
304.3856
Exact Mass
304.15756327
Charge
0
InChI
InChI=1S/C20H20N2O/c1-23-19-9-3-7-17(14-19)16-6-2-5-15(13-16)11-12-18-8-4-10-20(21)22-18/h2-10,13-14H,11-12H2,1H3,(H2,21,22)
InChIKey
AEVBKBAFFJKFJZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1cccc(c1)CCc1cccc(n1)N
Isomeric Smiles
COc1cccc(c1)c1cccc(CCc2cccc(N)n2)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8018818
LogD (pH = 7.4)
4.1362267
Log P
4.4209375
Molar Refractivity
94.4288
Polarizability
37.25038
Polar Surface Area
48.14
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.57
LOG S
-5.17
Solubility (Water)
2.05e-03 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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