4-[(Z)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid

Formula:C18H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid
MolecularFormula	C18H15N3O3S
Smiles	OC(c1ccc(/C=N\N(C=Nc2c3c(CCCC4)c4s2)C3=O)cc1)=O
InChI	InChI=1S/C18H15N3O3S/c22-17-15-13-3-1-2-4-14(13)25-16(15)19-10-21(17)20-9-11-5-7-12(8-6-11)18(23)24/h5-10H,1-4H2,(H,23,24)
InChIK	YQGCPCAJGMKDEY-UHFFFAOYSA-N
TotalMolweight	353.401
Molweight	353.401
MonoisotopicMass	353.083412
CLogP	3.1701
CLogS	-5.064
H Acceptors	6
H Donors	1
TotalSurfaceArea	258.67
Relative PSA	0.3329
PolarSurfaceArea	110.57
Druglikeness	1.161
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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