[(Z)-phenanthren-9-ylmethylideneamino]thiourea

Formula:C16H13N3S Mutagenic:low Tumorigenic:high Reproductive Effective:none [(Z)-phenanthren-9-ylmethylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-phenanthren-9-ylmethylideneamino]thiourea
MolecularFormula	C16H13N3S
Smiles	NC(N/N=C\c1cc2ccccc2c2ccccc12)=S
InChI	InChI=1S/C16H13N3S/c17-16(20)19-18-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H,(H3,17,19,20)
InChIK	LPJVCLBJYWWUQL-UHFFFAOYSA-N
TotalMolweight	279.366
Molweight	279.366
MonoisotopicMass	279.083017
CLogP	3.9208
CLogS	-6.11
H Acceptors	3
H Donors	2
TotalSurfaceArea	219.91
Relative PSA	0.30121
PolarSurfaceArea	82.5
Druglikeness	2.2769
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
StereoCon

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