Molecule

ID:1635

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₄O
Molecular Mass
320.3883
Exact Mass
320.16371128
Charge
0
InChI
InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
InChIKey
AKFPMLBVLWZSQX-CSKARUKUSA-N
Canonic Smiles
Nc1ccc(cn1)/C=C/C(=O)N(Cc1cc2c(n1C)cccc2)C
Isomeric Smiles
Nc1ncc(cc1)/C=C/C(=O)N(C)Cc1cc2c(n1C)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4039897
LogD (pH = 7.4)
2.2465062
Log P
2.2912672
Molar Refractivity
98.0058
Polarizability
37.402702
Polar Surface Area
64.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.42
LOG S
-4.0
Solubility (Water)
3.21e-02 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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