Molecule

ID:129735

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁F₂N₃O
Molecular Mass
345.3863464
Exact Mass
345.16526875
Charge
0
InChI
InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m1/s1
InChIKey
NTPZXHMTJGOMCJ-MNOVXSKESA-N
Canonic Smiles
Fc1ccc(c(c1)F)n1nc(c2c1[C@H]1CC[C@@H]2C1)C(=O)NC(C)(C)C
Isomeric Smiles
CC(C)(C)NC(=O)c1nn(c2c1[C@@H]1CC[C@H]2C1)c1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
14.396887
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8186388
LogD (pH = 7.4)
3.8186398
Log P
3.8186398
Molar Refractivity
92.3919
Polarizability
34.572155
Polar Surface Area
46.92
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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