(E)-3-[4-[5-(4-nitrophenyl)triazol-1-yl]phenyl]-1-phenylprop-2-en-1-one

Formula:C23H16N4O3 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-[5-(4-nitrophenyl)triazol-1-yl]phenyl]-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[4-[5-(4-nitrophenyl)triazol-1-yl]phenyl]-1-phenylprop-2-en-1-one
MolecularFormula	C23H16N4O3
Smiles	[O-][N+](c(cc1)ccc1-c1cnnn1-c1ccc(/C=C/C(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C23H16N4O3/c28-23(19-4-2-1-3-5-19)15-8-17-6-11-20(12-7-17)26-22(16-24-25-26)18-9-13-21(14-10-18)27(29)30/h1-16H
InChIK	KHVXJHUCYPOZEP-UHFFFAOYSA-N
TotalMolweight	396.405
Molweight	396.405
MonoisotopicMass	396.122241
CLogP	2.9468
CLogS	-5.802
H Acceptors	7
TotalSurfaceArea	307.18
Relative PSA	0.23527
PolarSurfaceArea	93.6
Druglikeness	-7.1088
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[4-[5-(4-nitrophenyl)triazol-1-yl]phenyl]-1-phenylprop-2-en-1-one | 2 - (E)-3-[4-[5-(4-nitrophenyl)triazol-1-yl]phenyl]-1-phenylprop-2-en-1-one

Request More Details | (E)-3-[4-[5-(4-nitrophenyl)triazol-1-yl]phenyl]-1-phenylprop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments