3,5-dibromo-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-4-hydroxybenzamide

Formula:C18H10N4O3Br2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:low 3,5-dibromo-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-4-hydroxybenzamide is not a drug-like molecule.

MolName	3,5-dibromo-N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-4-hydroxybenzamide
MolecularFormula	C18H10N4O3Br2ClF
Smiles	Oc(c(Br)cc(C(N/N=C\c(cc1)ccc1Oc1nc(Cl)ncc1F)=O)c1)c1Br
InChI	InChI=1S/C18H10Br2ClFN4O3/c19-12-5-10(6-13(20)15(12)27)16(28)26-24-7-9-1-3-11(4-2-9)29-17-14(22)8-23-18(21)25-17/h1-8,27H,(H,26,28)
InChIK	WPKFVDZICFMOBZ-UHFFFAOYSA-N
TotalMolweight	544.561
Molweight	544.561
MonoisotopicMass	541.879218
CLogP	5.439
CLogS	-7.73
H Acceptors	7
H Donors	2
TotalSurfaceArea	319.65
Relative PSA	0.25356
PolarSurfaceArea	96.7
Druglikeness	1.1785
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	2
StereoCon

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