Responsive image

Common name


tebufloquin

Formula


C17H20FNO2

CAS


376645-78-2

IUPAC name


6-(1,1-dimethylethyl)-8-fluoro-2,3-dimethyl-4-quinolinyl acetate

SMILES


Cc1c(C)nc2c(cc(cc2F)C(C)(C)C)c1OC(=O)C

INCHI


InChI=1S/C17H20FNO2/c1-9-10(2)19-15-13(16(9)21-11(3)20)7-12(8-14(15)18)17(4,5)6/h7-8H,1-6H3

Physicochemical Properties

Molecular weight:

290.156

Molar refractivity:

82.378

Num. bonds:

22

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

64.04

Lipophilicity

ALogP:

2.617

MLogP:

2.89

XLogP:

3.464

Water Solubility

CLogS:

-5.732

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.136

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

26.3
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.778

QEF:

0.578

Gau:

6.48826