N-[(E)-1-(1,3-benzoxazol-2-yl)-2-(4-bromophenyl)ethenyl]furan-2-carboxamide

Formula:C20H13N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1,3-benzoxazol-2-yl)-2-(4-bromophenyl)ethenyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzoxazol-2-yl)-2-(4-bromophenyl)ethenyl]furan-2-carboxamide
MolecularFormula	C20H13N2O3Br
Smiles	O=C(c1ccco1)N/C(/c1nc(cccc2)c2o1)=C/c(cc1)ccc1Br
InChI	InChI=1S/C20H13BrN2O3/c21-14-9-7-13(8-10-14)12-16(22-19(24)18-6-3-11-25-18)20-23-15-4-1-2-5-17(15)26-20/h1-12H,(H,22,24)
InChIK	CIJUHDGDDFUISB-UHFFFAOYSA-N
TotalMolweight	409.238
Molweight	409.238
MonoisotopicMass	408.010954
CLogP	4.4309
CLogS	-5.374
H Acceptors	5
H Donors	1
TotalSurfaceArea	278.07
Relative PSA	0.22904
PolarSurfaceArea	68.27
Druglikeness	0.39063
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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