(E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoate

Formula:C15H11N3O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoate
MolecularFormula	C15H11N3O2Br
Smiles	N#CCCn(cc1/C=C/C([O-])=O)nc1-c1cccc(Br)c1
InChI	InChI=1S/C15H12BrN3O2/c16-13-4-1-3-11(9-13)15-12(5-6-14(20)21)10-19(18-15)8-2-7-17/h1,3-6,9-10H,2,8H2,(H,20,21)/p-1
InChIK	FSMIILJBKOFIOM-UHFFFAOYSA-M
TotalMolweight	345.175
Molweight	345.175
MonoisotopicMass	344.003463
CLogP	-0.1084
CLogS	-3.801
H Acceptors	5
TotalSurfaceArea	240.62
Relative PSA	0.24404
PolarSurfaceArea	81.74
Druglikeness	-5.1865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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