1-(9H-fluoren-9-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C26H28N2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(9H-fluoren-9-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-(9H-fluoren-9-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C26H28N2
Smiles	C(/C=C/c1ccccc1)[NH+](CC1)CC[NH+]1C1c(cccc2)c2-c2c1cccc2
InChI	InChI=1S/C26H26N2/c1-2-9-21(10-3-1)11-8-16-27-17-19-28(20-18-27)26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-15,26H,16-20H2/p+2
InChIK	RDNHEFWZOKNXKM-UHFFFAOYSA-P
TotalMolweight	368.522
Molweight	368.522
MonoisotopicMass	368.225248
CLogP	1.2106
CLogS	-4.799
H Acceptors	2
H Donors	2
TotalSurfaceArea	322.26
Relative PSA	0.10917
PolarSurfaceArea	8.88
Druglikeness	-1.7313
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	10
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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