1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

Formula:C17H19N3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea is a drug-like molecule.

MolName	1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
MolecularFormula	C17H19N3S
Smiles	S=C(NC1C(C2)C=CC2C1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C17H19N3S/c21-17(19-16-12-14-8-9-15(16)11-14)20-18-10-4-7-13-5-2-1-3-6-13/h1-10,14-16H,11-12H2,(H2,19,20,21)
InChIK	YOONQWDZLCUVFZ-UHFFFAOYSA-N
TotalMolweight	297.425
Molweight	297.425
MonoisotopicMass	297.129967
CLogP	3.0855
CLogS	-4.588
H Acceptors	3
H Donors	2
TotalSurfaceArea	244.67
Relative PSA	0.25516
PolarSurfaceArea	68.51
Druglikeness	3.1787
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	3
Rotatable Bond	4
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
StereoCon	unknown chirality

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1 - 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea | 2 - 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

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