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

Formula:C22H27N3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole is a drug-like molecule.

MolName	3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole
MolecularFormula	C22H27N3
Smiles	C(/C=C/c1ccccc1)[NH+]1CC[NH+](Cc2c[nH]c3c2cccc3)CC1
InChI	InChI=1S/C22H25N3/c1-2-7-19(8-3-1)9-6-12-24-13-15-25(16-14-24)18-20-17-23-22-11-5-4-10-21(20)22/h1-11,17,23H,12-16,18H2/p+2
InChIK	IGNXYLSQDZTEII-UHFFFAOYSA-P
TotalMolweight	333.477
Molweight	333.477
MonoisotopicMass	333.220497
CLogP	-0.6398
CLogS	-3.064
H Acceptors	3
H Donors	3
TotalSurfaceArea	301.43
Relative PSA	0.16312
PolarSurfaceArea	24.67
Druglikeness	-0.55488
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	4
Amines	2
AlkylAmines	2
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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