2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

Formula:C28H18N2O2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is not a drug-like molecule.

MolName	2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
MolecularFormula	C28H18N2O2
Smiles	C(c(cc1)ccc1-c1nc(cccc2)c2o1)=C/c(cc1)ccc1-c1nc(cccc2)c2o1
InChI	InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H
InChIK	ORACIQIJMCYPHQ-UHFFFAOYSA-N
TotalMolweight	414.463
Molweight	414.463
MonoisotopicMass	414.136828
CLogP	7.1762
CLogS	-9.732
H Acceptors	4
TotalSurfaceArea	325.14
Relative PSA	0.15427
PolarSurfaceArea	52.06
Druglikeness	-0.56397
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Symmetricatoms	18
Aromatic Nitrogens	2
StereoCon

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