(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

Formula:C23H15N2O3F Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
MolecularFormula	C23H15N2O3F
Smiles	Fc(cc1)ccc1-c1nc(cc(cc2)/N=C/C=C/c(cc3)cc4c3OCO4)c2o1
InChI	InChI=1S/C23H15FN2O3/c24-17-6-4-16(5-7-17)23-26-19-13-18(8-10-20(19)29-23)25-11-1-2-15-3-9-21-22(12-15)28-14-27-21/h1-13H,14H2
InChIK	IFHLYRHAVRNCRR-UHFFFAOYSA-N
TotalMolweight	386.381
Molweight	386.381
MonoisotopicMass	386.106671
CLogP	4.9187
CLogS	-7.465
H Acceptors	5
TotalSurfaceArea	293.7
Relative PSA	0.19268
PolarSurfaceArea	56.85
Druglikeness	-1.36
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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