[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea

Formula:C18H16N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea is a drug-like molecule.

MolName	[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea
MolecularFormula	C18H16N3O3FS
Smiles	NC(N/N=C(/C1)\c(cc(cc2)F)c2OC1c(cc1)cc2c1OCCO2)=S
InChI	InChI=1S/C18H16FN3O3S/c19-11-2-4-14-12(8-11)13(21-22-18(20)26)9-16(25-14)10-1-3-15-17(7-10)24-6-5-23-15/h1-4,7-8,16H,5-6,9H2,(H3,20,22,26)/t16-/m1/s1
InChIK	PJMFWFQNKWVXOR-MRXNPFEDSA-N
TotalMolweight	373.407
Molweight	373.407
MonoisotopicMass	373.08964
CLogP	3.2115
CLogS	-4.982
H Acceptors	6
H Donors	2
TotalSurfaceArea	271.81
Relative PSA	0.35407
PolarSurfaceArea	110.19
Druglikeness	-6.7024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
StereoCon	racemate

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1 - [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea | 2 - [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea

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