(E)-2-(1,3-benzothiazol-2-yl)-N-(1,2,4-triazol-4-yl)benzo[f]chromen-3-imine

Formula:C22H13N5OS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-N-(1,2,4-triazol-4-yl)benzo[f]chromen-3-imine is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-N-(1,2,4-triazol-4-yl)benzo[f]chromen-3-imine
MolecularFormula	C22H13N5OS
Smiles	c1nncn1/N=C(\C(c1nc(cccc2)c2s1)=C1)/Oc2c1c1ccccc1cc2
InChI	InChI=1S/C22H13N5OS/c1-2-6-15-14(5-1)9-10-19-16(15)11-17(21(28-19)26-27-12-23-24-13-27)22-25-18-7-3-4-8-20(18)29-22/h1-13H
InChIK	CRAAGSUOJLBKSV-UHFFFAOYSA-N
TotalMolweight	395.445
Molweight	395.445
MonoisotopicMass	395.08408
CLogP	3.5896
CLogS	-7.567
H Acceptors	6
TotalSurfaceArea	287.58
Relative PSA	0.28392
PolarSurfaceArea	93.43
Druglikeness	3.9218
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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