3-[(Z)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol

Formula:C21H15N5O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(Z)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol is a drug-like molecule.

MolName	3-[(Z)-(2-amino-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-1-yl)iminomethyl]phenol
MolecularFormula	C21H15N5O3S2
Smiles	Nc(n(c1nc2ccccc2nc11)/N=C\c2cc(O)ccc2)c1S(c1cccs1)(=O)=O
InChI	InChI=1S/C21H15N5O3S2/c22-20-19(31(28,29)17-9-4-10-30-17)18-21(25-16-8-2-1-7-15(16)24-18)26(20)23-12-13-5-3-6-14(27)11-13/h1-12,27H,22H2
InChIK	RVOOLNVVFOCGTD-UHFFFAOYSA-N
TotalMolweight	449.514
Molweight	449.514
MonoisotopicMass	449.06163
CLogP	3.3635
CLogS	-8.189
H Acceptors	8
H Donors	2
TotalSurfaceArea	312.85
Relative PSA	0.37599
PolarSurfaceArea	160.08
Druglikeness	4.1011
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	1
Aromatic Nitrogens	3
StereoCon

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