7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonic acid

Formula:C13H8N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonic acid is a drug-like molecule.

MolName	7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonic acid
MolecularFormula	C13H8N4O3S
Smiles	N#Cc1c[nH]c2c1nc(-c1ccccc1)nc2S(O)(=O)=O
InChI	InChI=1S/C13H8N4O3S/c14-6-9-7-15-11-10(9)16-12(8-4-2-1-3-5-8)17-13(11)21(18,19)20/h1-5,7,15H,(H,18,19,20)
InChIK	KLSLDUHHCDYLRR-UHFFFAOYSA-N
TotalMolweight	300.298
Molweight	300.298
MonoisotopicMass	300.031711
CLogP	-0.395
CLogS	-2.319
H Acceptors	7
H Donors	2
TotalSurfaceArea	211.35
Relative PSA	0.43137
PolarSurfaceArea	128.11
Druglikeness	-5.7132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	3
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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