1-(6H-indolo[3,2-b]quinoxalin-9-yl)-3-phenylthiourea

Formula:C21H15N5S Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-(6H-indolo[3,2-b]quinoxalin-9-yl)-3-phenylthiourea is a drug-like molecule.

MolName	1-(6H-indolo[3,2-b]quinoxalin-9-yl)-3-phenylthiourea
MolecularFormula	C21H15N5S
Smiles	S=C(Nc1ccccc1)Nc(cc1)cc2c1[nH]c1nc3ccccc3nc12
InChI	InChI=1S/C21H15N5S/c27-21(22-13-6-2-1-3-7-13)23-14-10-11-16-15(12-14)19-20(25-16)26-18-9-5-4-8-17(18)24-19/h1-12H,(H,25,26)(H2,22,23,27)
InChIK	UFRREMVLJDICHO-UHFFFAOYSA-N
TotalMolweight	369.451
Molweight	369.451
MonoisotopicMass	369.104815
CLogP	4.397
CLogS	-6.3
H Acceptors	5
H Donors	3
TotalSurfaceArea	279.54
Relative PSA	0.31069
PolarSurfaceArea	97.72
Druglikeness	-1.1675
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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