4-bromo-N'-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]benzohydrazide

Formula:C22H25N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N'-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]benzohydrazide is a drug-like molecule.

MolName	4-bromo-N'-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]benzohydrazide
MolecularFormula	C22H25N4O2Br
Smiles	O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NNC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C22H25BrN4O2/c23-20-10-8-19(9-11-20)22(29)25-24-21(28)17-27-15-13-26(14-16-27)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,24,28)(H,25,29)
InChIK	VLNZQGLLSOALQL-UHFFFAOYSA-N
TotalMolweight	457.371
Molweight	457.371
MonoisotopicMass	456.116087
CLogP	2.4502
CLogS	-3.506
H Acceptors	6
H Donors	2
TotalSurfaceArea	326.23
Relative PSA	0.17196
PolarSurfaceArea	64.68
Druglikeness	6.0223
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72414
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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