8-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione

Formula:C15H15N6O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione is a drug-like molecule.

MolName	8-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
MolecularFormula	C15H15N6O3Cl
Smiles	CN(c1c(C(N2)=O)n(CCO)c(N/N=C\c(cc3)ccc3Cl)n1)C2=O
InChI	InChI=1S/C15H15ClN6O3/c1-21-12-11(13(24)19-15(21)25)22(6-7-23)14(18-12)20-17-8-9-2-4-10(16)5-3-9/h2-5,8,23H,6-7H2,1H3,(H,18,20)(H,19,24,25)
InChIK	YOQYFPZYDBJACO-UHFFFAOYSA-N
TotalMolweight	362.776
Molweight	362.776
MonoisotopicMass	362.089416
CLogP	3.0548
CLogS	-3.544
H Acceptors	9
H Donors	3
TotalSurfaceArea	262.51
Relative PSA	0.36189
PolarSurfaceArea	111.85
Druglikeness	5.9409
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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