Molecule

ID:128602

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁N₃O
Molecular Mass
319.40024
Exact Mass
319.16846231
Charge
0
InChI
InChI=1S/C20H21N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-13H,3-4,21H2,1-2H3
InChIKey
WOIORDFNOALMFO-UHFFFAOYSA-N
Canonic Smiles
CCN(C1C=CC2=Nc3c(OC2=C1)cc(c1c3cccc1)N)CC
Isomeric Smiles
N1=C2C(=CC(C=C2)N(CC)CC)Oc2c1c1c(c(c2)N)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5349883
LogD (pH = 7.4)
2.2856586
Log P
3.4655585
Molar Refractivity
103.085
Polarizability
38.424976
Polar Surface Area
50.85
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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