(NE)-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine

Formula:C21H23N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (NE)-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine is a drug-like molecule.

MolName	(NE)-N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-dihydroinden-2-ylidene]hydroxylamine
MolecularFormula	C21H23N3O3
Smiles	O/N=C(\Cc1c2cccc1)/C2N1CCN(Cc(cc2)cc3c2OCO3)CC1
InChI	InChI=1S/C21H23N3O3/c25-22-18-12-16-3-1-2-4-17(16)21(18)24-9-7-23(8-10-24)13-15-5-6-19-20(11-15)27-14-26-19/h1-6,11,21,25H,7-10,12-14H2/t21-/m1/s1
InChIK	FQUIZYFMERBDPI-OAQYLSRUSA-N
TotalMolweight	365.432
Molweight	365.432
MonoisotopicMass	365.173942
CLogP	3.4895
CLogS	-3.15
H Acceptors	6
H Donors	1
TotalSurfaceArea	271.26
Relative PSA	0.19063
PolarSurfaceArea	57.53
Druglikeness	5.6224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon	racemate

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