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

Formula:C21H21N5S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(6H-indolo[3,2-b]quinoxalin-9-yl)azepane-1-carbothioamide is a drug-like molecule.

MolName	N-(6H-indolo[3,2-b]quinoxalin-9-yl)azepane-1-carbothioamide
MolecularFormula	C21H21N5S
Smiles	S=C(Nc(cc1)cc2c1[nH]c1nc3ccccc3nc12)N1CCCCCC1
InChI	InChI=1S/C21H21N5S/c27-21(26-11-5-1-2-6-12-26)22-14-9-10-16-15(13-14)19-20(24-16)25-18-8-4-3-7-17(18)23-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,27)(H,24,25)
InChIK	PJJRGPDEDDFMFD-UHFFFAOYSA-N
TotalMolweight	375.499
Molweight	375.499
MonoisotopicMass	375.151765
CLogP	4.4298
CLogS	-5.657
H Acceptors	5
H Donors	2
TotalSurfaceArea	287.68
Relative PSA	0.2744
PolarSurfaceArea	88.93
Druglikeness	-2.2643
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	3
Aromatic Nitrogens	3
StereoCon

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