2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile

Formula:C11H9N5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile is a drug-like molecule.

MolName	2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile
MolecularFormula	C11H9N5
Smiles	N#CC(C#N)=C/C=C(\C=CN1)/N2C1=NCC2
InChI	InChI=1S/C11H9N5/c12-7-9(8-13)1-2-10-3-4-14-11-15-5-6-16(10)11/h1-4H,5-6H2,(H,14,15)
InChIK	BZTIUZBUHZZUKJ-UHFFFAOYSA-N
TotalMolweight	211.227
Molweight	211.227
MonoisotopicMass	211.085795
CLogP	0.3804
CLogS	-2.592
H Acceptors	5
H Donors	1
TotalSurfaceArea	178.09
Relative PSA	0.3012
PolarSurfaceArea	75.21
Druglikeness	-3.8409
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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