5-[(Z)-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate

Formula:C15H8N4O5BrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate is a drug-like molecule.

MolName	5-[(Z)-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonate
MolecularFormula	C15H8N4O5BrS
Smiles	[O-]S(c1ccc(/C=N\N(C=Nc2c3[nH]c(cc4)c2cc4Br)C3=O)o1)(=O)=O
InChI	InChI=1S/C15H9BrN4O5S/c16-8-1-3-11-10(5-8)13-14(19-11)15(21)20(7-17-13)18-6-9-2-4-12(25-9)26(22,23)24/h1-7,19H,(H,22,23,24)/p-1
InChIK	LUNMBIYKAOJIGS-UHFFFAOYSA-M
TotalMolweight	436.222
Molweight	436.222
MonoisotopicMass	434.939877
CLogP	-0.9002
CLogS	-3.233
H Acceptors	9
H Donors	1
TotalSurfaceArea	265.69
Relative PSA	0.41616
PolarSurfaceArea	139.54
Druglikeness	-0.60582
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	2
Symmetricatoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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