3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole-7-carboxylate

Formula:C23H26N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole-7-carboxylate is a drug-like molecule.

MolName	3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole-7-carboxylate
MolecularFormula	C23H26N3O2
Smiles	[O-]C(c1c2[nH]cc(C[NH+]3CC[NH+](C/C=C/c4ccccc4)CC3)c2ccc1)=O
InChI	InChI=1S/C23H25N3O2/c27-23(28)21-10-4-9-20-19(16-24-22(20)21)17-26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-10,16,24H,11-15,17H2,(H,27,28)/p+1
InChIK	NGDPMIUIPIVULL-UHFFFAOYSA-O
TotalMolweight	376.478
Molweight	376.478
MonoisotopicMass	376.202502
CLogP	-0.6011
CLogS	-3.077
H Acceptors	5
H Donors	3
TotalSurfaceArea	326.71
Relative PSA	0.23412
PolarSurfaceArea	64.8
Druglikeness	-0.13049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Symmetricatoms	4
Amines	2
AlkylAmines	2
Aromatic Nitrogens	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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