Molecule

ID:130857

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O
Molecular Mass
305.37366
Exact Mass
305.15281224
Charge
0
InChI
InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2
InChIKey
KRVRUAYUNOQMOV-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
Isomeric Smiles
c1cc(ccc1C(c1ccc(cc1)N)(c1ccc(cc1)N)O)N
Calculated Properties
JChem
Acid pKa
12.995653
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
2.0886729
LogD (pH = 7.4)
2.1507742
Log P
2.1516001
Molar Refractivity
97.4127
Polarizability
35.40413
Polar Surface Area
98.29
Rotatable Bonds
3
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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