1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea

Formula:C16H16N4S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea is a drug-like molecule.

MolName	1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-pyridin-3-ylthiourea
MolecularFormula	C16H16N4S
Smiles	S=C(Nc1cnccc1)N/N=C(\CCC1)/c2c1cccc2
InChI	InChI=1S/C16H16N4S/c21-16(18-13-7-4-10-17-11-13)20-19-15-9-3-6-12-5-1-2-8-14(12)15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H2,18,20,21)
InChIK	IUJWFZXSJWKZGC-UHFFFAOYSA-N
TotalMolweight	296.397
Molweight	296.397
MonoisotopicMass	296.109566
CLogP	3.264
CLogS	-4.475
H Acceptors	4
H Donors	2
TotalSurfaceArea	238.16
Relative PSA	0.3082
PolarSurfaceArea	81.4
Druglikeness	-1.4459
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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