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Common name


glyodin

Formula


C22H44N2O2

CAS


556-22-9

IUPAC name


2-heptadecyl-4,5-dihydro-1H-imidazoline monoacetate

SMILES


CCCCCCCCCCCCCCCCCC1=NCCN1.CC(=O)O

INCHI


InChI=1S/C20H40N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2(3)4/h2-19H2,1H3,(H,21,22);1H3,(H,3,4)

Physicochemical Properties

Molecular weight:

308.319

Molar refractivity:

72.058

Num. bonds:

22

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

2

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

22.02

Lipophilicity

ALogP:

-4.912

MLogP:

3.44

XLogP:

8.758

Water Solubility

CLogS:

-7.644

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

30.248

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 16

16

Frac. of Rot. bonds:

0.727

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

10

topoDiameter:

19

TopoPSA:

24.39
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.29

QEF:

0.178

Gau:

5.66033