4-nitro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol

Formula:C20H23N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol is a drug-like molecule.

MolName	4-nitro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
MolecularFormula	C20H23N3O3
Smiles	[O-][N+](c(cc1)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1O)=O
InChI	InChI=1S/C20H23N3O3/c24-19-8-9-20(23(25)26)18(15-19)16-22-13-11-21(12-14-22)10-4-7-17-5-2-1-3-6-17/h1-9,15,24H,10-14,16H2
InChIK	BHJQZKDVSRCJAS-UHFFFAOYSA-N
TotalMolweight	353.421
Molweight	353.421
MonoisotopicMass	353.173942
CLogP	0.4199
CLogS	-2.703
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.2
Relative PSA	0.1813
PolarSurfaceArea	72.53
Druglikeness	1.124
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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