Molecule

ID:128396

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃O
Molecular Mass
255.31498
Exact Mass
255.13716218
Charge
0
InChI
InChI=1S/C15H17N3O/c1-17-7-8-18-13-4-3-10(19-2)9-12(13)11-5-6-16-15(17)14(11)18/h3-4,9H,5-8H2,1-2H3
InChIKey
GVXBHSBKKJRBMS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c1CCN=C3c1n2CCN3C
Isomeric Smiles
CN1CCn2c3c(cc(cc3)OC)c3c2C1=NCC3
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.76693404
LogD (pH = 7.4)
0.1056349
Log P
1.6101073
Molar Refractivity
75.9461
Polarizability
29.342327
Polar Surface Area
29.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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