(E)-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula:C25H25N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C25H25N5O3
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccccc1)=O)c1)c1NCc1cnccc1)=O
InChI	InChI=1S/C25H25N5O3/c31-25(11-8-20-5-2-1-3-6-20)29-15-13-28(14-16-29)22-9-10-24(30(32)33)23(17-22)27-19-21-7-4-12-26-18-21/h1-12,17-18,27H,13-16,19H2
InChIK	MARBNQYSMBNFIJ-UHFFFAOYSA-N
TotalMolweight	443.506
Molweight	443.506
MonoisotopicMass	443.19574
CLogP	2.4103
CLogS	-4.091
H Acceptors	8
H Donors	1
TotalSurfaceArea	346.82
Relative PSA	0.21046
PolarSurfaceArea	94.29
Druglikeness	0.53333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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