[(Z)-isoquinolin-1-ylmethylideneamino]thiourea

Formula:C11H10N4S Mutagenic:low Tumorigenic:none Reproductive Effective:none [(Z)-isoquinolin-1-ylmethylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-isoquinolin-1-ylmethylideneamino]thiourea
MolecularFormula	C11H10N4S
Smiles	NC(N/N=C\c1nccc2ccccc12)=S
InChI	InChI=1S/C11H10N4S/c12-11(16)15-14-7-10-9-4-2-1-3-8(9)5-6-13-10/h1-7H,(H3,12,15,16)
InChIK	FQWITMQQUMTMRE-UHFFFAOYSA-N
TotalMolweight	230.294
Molweight	230.294
MonoisotopicMass	230.062616
CLogP	1.7795
CLogS	-3.733
H Acceptors	4
H Donors	2
TotalSurfaceArea	184.07
Relative PSA	0.41946
PolarSurfaceArea	95.39
Druglikeness	2.2769
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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