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Common name


dodemorph

Formula


C18H35NO

CAS


1593-77-7

IUPAC name


4-cyclododecyl-2,6-dimethylmorpholine

SMILES


CC1CN(CC(C)O1)C1CCCCCCCCCCC1

INCHI


InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3

Physicochemical Properties

Molecular weight:

282.28

Molar refractivity:

65.062

Num. bonds:

21

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

61.02

Lipophilicity

ALogP:

-4.791

MLogP:

3.22

XLogP:

5.666

Water Solubility

CLogS:

-3.487

Geometric

PPSA-1:

471.548

PNSA-1:

62.274

RPCS:

0.65

RNCS:

3.474

THSA:

521.206

TPSA:

12.616

RHSA:

0.976

RPSA:

0.024

Electrostatic

RPCG:

0.079

RNCG:

0.275

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.048

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

10

TopoPSA:

13.67
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.301

QEF:

0.397

Gau:

4.65599