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C10H10N3OFS | Cheminformatics

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

Molecular Formula : C10H10N3OFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]thiourea is a drug-like molecule.

MolName : [(Z)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]thiourea

MolecularFormula : C10H10N3OFS

Smiles : NC(N/N=C1\c(cc(cc2)F)c2OCC1)=S

InChI : InChI=1S/C10H10FN3OS/c11-6-1-2-9-7(5-6)8(3-4-15-9)13-14-10(12)16/h1-2,5H,3-4H2,(H3,12,14,16)

InChIK : HXKWAELQRFLXMG-UHFFFAOYSA-N

TotalMolweight : 239.273

Molweight : 239.273

MonoisotopicMass : 239.05286

CLogP : 1.7165

CLogS : -3.706

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 179.29

Relative PSA : 0.42523

PolarSurfaceArea : 91.73

Druglikeness : -0.36408

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.5625

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

StereoCon :

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