[(Z)-[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea

Formula:C14H9N4F7S Mutagenic:low Tumorigenic:none Reproductive Effective:none [(Z)-[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea
MolecularFormula	C14H9N4F7S
Smiles	NC(N/N=C\c1nccc2c(C(C(C(F)(F)F)(F)F)(F)F)cccc12)=S
InChI	InChI=1S/C14H9F7N4S/c15-12(16,13(17,18)14(19,20)21)9-3-1-2-8-7(9)4-5-23-10(8)6-24-25-11(22)26/h1-6H,(H3,22,25,26)
InChIK	IYJACKLHQZCAOV-UHFFFAOYSA-N
TotalMolweight	398.305
Molweight	398.305
MonoisotopicMass	398.043612
CLogP	3.8812
CLogS	-5.53
H Acceptors	4
H Donors	2
TotalSurfaceArea	259.75
Relative PSA	0.29725
PolarSurfaceArea	95.39
Druglikeness	-63.852
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - [(Z)-[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea | 2 - [(Z)-[5-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea

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