4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Formula:C25H30N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is a drug-like molecule.

MolName	4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
MolecularFormula	C25H30N2O3
Smiles	Oc(cc1)c(C[NH+]2CC[NH+](Cc3ccccc3)CC2)c(O2)c1C(CCCC1)=C1C2=O
InChI	InChI=1S/C25H28N2O3/c28-23-11-10-20-19-8-4-5-9-21(19)25(29)30-24(20)22(23)17-27-14-12-26(13-15-27)16-18-6-2-1-3-7-18/h1-3,6-7,10-11,28H,4-5,8-9,12-17H2/p+2
InChIK	GTCGOGQHTBAVLC-UHFFFAOYSA-P
TotalMolweight	406.524
Molweight	406.524
MonoisotopicMass	406.225643
CLogP	-1.0391
CLogS	-2.959
H Acceptors	5
H Donors	3
TotalSurfaceArea	335.82
Relative PSA	0.21238
PolarSurfaceArea	55.41
Druglikeness	-5.3195
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one | 2 - 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Request More Details | 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments