(E)-1-(benzotriazol-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Formula:C26H19N5O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(benzotriazol-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(benzotriazol-1-yl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C26H19N5O3
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)n1nnc2c1cccc2
InChI	InChI=1S/C26H19N5O3/c32-25(31-22-9-5-4-8-21(22)27-29-31)13-11-19-17-30(20-6-2-1-3-7-20)28-26(19)18-10-12-23-24(16-18)34-15-14-33-23/h1-13,16-17H,14-15H2
InChIK	VIRYLBLTYBDACV-UHFFFAOYSA-N
TotalMolweight	449.469
Molweight	449.469
MonoisotopicMass	449.14879
CLogP	3.5069
CLogS	-5.423
H Acceptors	8
TotalSurfaceArea	340.09
Relative PSA	0.23432
PolarSurfaceArea	84.06
Druglikeness	-9.5374
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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