(2E,4E)-2-cyano-N-(3-imidazol-1-ylpropyl)-5-phenylpenta-2,4-dienamide

Formula:C18H18N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-2-cyano-N-(3-imidazol-1-ylpropyl)-5-phenylpenta-2,4-dienamide is a drug-like molecule.

MolName	(2E,4E)-2-cyano-N-(3-imidazol-1-ylpropyl)-5-phenylpenta-2,4-dienamide
MolecularFormula	C18H18N4O
Smiles	N#C/C(/C(NCCCn1cncc1)=O)=C\C=C\c1ccccc1
InChI	InChI=1S/C18H18N4O/c19-14-17(9-4-8-16-6-2-1-3-7-16)18(23)21-10-5-12-22-13-11-20-15-22/h1-4,6-9,11,13,15H,5,10,12H2,(H,21,23)
InChIK	AHAUGBAGBZNWNT-UHFFFAOYSA-N
TotalMolweight	306.368
Molweight	306.368
MonoisotopicMass	306.148061
CLogP	2.0283
CLogS	-2.26
H Acceptors	5
H Donors	1
TotalSurfaceArea	264.39
Relative PSA	0.21143
PolarSurfaceArea	70.71
Druglikeness	1.6613
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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