1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-bicyclo[2.2.1]heptanyl)thiourea

Formula:C16H19N3O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-bicyclo[2.2.1]heptanyl)thiourea is a drug-like molecule.

MolName	1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-bicyclo[2.2.1]heptanyl)thiourea
MolecularFormula	C16H19N3O2S
Smiles	S=C(NC1C(CC2)CC2C1)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H19N3O2S/c22-16(18-13-6-10-1-3-12(13)5-10)19-17-8-11-2-4-14-15(7-11)21-9-20-14/h2,4,7-8,10,12-13H,1,3,5-6,9H2,(H2,18,19,22)
InChIK	CIPLAOCVPWWWNA-UHFFFAOYSA-N
TotalMolweight	317.412
Molweight	317.412
MonoisotopicMass	317.119797
CLogP	3.454
CLogS	-5.235
H Acceptors	5
H Donors	2
TotalSurfaceArea	239.45
Relative PSA	0.34425
PolarSurfaceArea	86.97
Druglikeness	2.015
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	3
Rotatable Bond	3
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
StereoCon	unknown chirality

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1 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-bicyclo[2.2.1]heptanyl)thiourea | 2 - 1-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-(2-bicyclo[2.2.1]heptanyl)thiourea

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