(E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Formula:C26H26N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C26H26N3O3
Smiles	[O-][N+](c1cc(/C=C/C(N(CC2)CC[NH+]2C(c2ccccc2)c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C26H25N3O3/c30-25(15-14-21-8-7-13-24(20-21)29(31)32)27-16-18-28(19-17-27)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,20,26H,16-19H2/p+1
InChIK	KVOXNIUSFWWMFM-UHFFFAOYSA-O
TotalMolweight	428.51
Molweight	428.51
MonoisotopicMass	428.197417
CLogP	3.1899
CLogS	-4.241
H Acceptors	6
H Donors	1
TotalSurfaceArea	349.38
Relative PSA	0.1849
PolarSurfaceArea	70.57
Druglikeness	-2.9259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	10
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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