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

Formula:C15H9N4O5ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-(8-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonic acid is a drug-like molecule.

MolName	5-[(Z)-(8-chloro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonic acid
MolecularFormula	C15H9N4O5ClS
Smiles	OS(c1ccc(/C=N\N(C=Nc2c3[nH]c(cc4)c2cc4Cl)C3=O)o1)(=O)=O
InChI	InChI=1S/C15H9ClN4O5S/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)
InChIK	NPIUKOGEFWLCHZ-UHFFFAOYSA-N
TotalMolweight	392.778
Molweight	392.778
MonoisotopicMass	391.998218
CLogP	0.2282
CLogS	-3.135
H Acceptors	9
H Donors	2
TotalSurfaceArea	261.3
Relative PSA	0.41864
PolarSurfaceArea	136.71
Druglikeness	6.6451
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
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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