[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-piperidin-1-ium-4-ylmethanone

Formula:C19H29N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-piperidin-1-ium-4-ylmethanone is a drug-like molecule.

MolName	[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-piperidin-1-ium-4-ylmethanone
MolecularFormula	C19H29N3O
Smiles	O=C(C1CC[NH2+]CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C19H27N3O/c23-19(18-8-10-20-11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-7,18,20H,8-16H2/p+2
InChIK	CADVCIJGSAFRPH-UHFFFAOYSA-P
TotalMolweight	315.459
Molweight	315.459
MonoisotopicMass	315.231062
CLogP	-0.1554
CLogS	-1.799
H Acceptors	4
H Donors	2
TotalSurfaceArea	269.23
Relative PSA	0.1557
PolarSurfaceArea	41.36
Druglikeness	3.9722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	6
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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