[5-(1H-imidazol-5-yl)-2-bicyclo[2.2.1]heptanyl] (E)-3-phenylprop-2-enoate

Formula:C19H20N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-(1H-imidazol-5-yl)-2-bicyclo[2.2.1]heptanyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	[5-(1H-imidazol-5-yl)-2-bicyclo[2.2.1]heptanyl] (E)-3-phenylprop-2-enoate
MolecularFormula	C19H20N2O2
Smiles	O=C(/C=C/c1ccccc1)OC(CC1C2)C2CC1c1cnc[nH]1
InChI	InChI=1S/C19H20N2O2/c22-19(7-6-13-4-2-1-3-5-13)23-18-10-14-8-15(18)9-16(14)17-11-20-12-21-17/h1-7,11-12,14-16,18H,8-10H2,(H,20,21)
InChIK	LZKLJFLUHSRHOF-UHFFFAOYSA-N
TotalMolweight	308.38
Molweight	308.38
MonoisotopicMass	308.152478
CLogP	3.3195
CLogS	-3.909
H Acceptors	4
H Donors	1
TotalSurfaceArea	239.88
Relative PSA	0.2001
PolarSurfaceArea	54.98
Druglikeness	-0.35871
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	4
Rotatable Bond	5
Rings Closures	4
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	unknown chirality

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