3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile

Formula:C21H13N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile is a drug-like molecule.

MolName	3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
MolecularFormula	C21H13N5O3S
Smiles	Nc(c1c2-c3ccccc3)c(C(c(cc3)ccc3[N+]([O-])=O)=O)sc1nc(N)c2C#N
InChI	InChI=1S/C21H13N5O3S/c22-10-14-15(11-4-2-1-3-5-11)16-17(23)19(30-21(16)25-20(14)24)18(27)12-6-8-13(9-7-12)26(28)29/h1-9H,23H2,(H2,24,25)
InChIK	ALHAHKARGFYWQR-UHFFFAOYSA-N
TotalMolweight	415.432
Molweight	415.432
MonoisotopicMass	415.07391
CLogP	2.3059
CLogS	-8.993
H Acceptors	8
H Donors	2
TotalSurfaceArea	302.25
Relative PSA	0.39335
PolarSurfaceArea	179.85
Druglikeness	-8.101
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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