(5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C21H12N2O4ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H12N2O4ClF3
Smiles	C#CCOc1ccc(/C=C(/C(NC(N2c(cc(C(F)(F)F)cc3)c3Cl)=O)=O)\C2=O)cc1
InChI	InChI=1S/C21H12ClF3N2O4/c1-2-9-31-14-6-3-12(4-7-14)10-15-18(28)26-20(30)27(19(15)29)17-11-13(21(23,24)25)5-8-16(17)22/h1,3-8,10-11H,9H2,(H,26,28,30)
InChIK	VHJWQNNJHDJMTE-UHFFFAOYSA-N
TotalMolweight	448.783
Molweight	448.783
MonoisotopicMass	448.043769
CLogP	3.5669
CLogS	-6.043
H Acceptors	6
H Donors	1
TotalSurfaceArea	311.69
Relative PSA	0.20575
PolarSurfaceArea	75.71
Druglikeness	-2.564
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

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1 - (5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

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