4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chloro-7-hydroxychromen-2-one

Formula:C27H25N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chloro-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-chloro-7-hydroxychromen-2-one
MolecularFormula	C27H25N2O3Cl
Smiles	Oc(cc(c(C(CN(CC1)CCN1C(c1ccccc1)c1ccccc1)=C1)c2)OC1=O)c2Cl
InChI	InChI=1S/C27H25ClN2O3/c28-23-16-22-21(15-26(32)33-25(22)17-24(23)31)18-29-11-13-30(14-12-29)27(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-17,27,31H,11-14,18H2
InChIK	AALKSFICMMZWGQ-UHFFFAOYSA-N
TotalMolweight	460.96
Molweight	460.96
MonoisotopicMass	460.15537
CLogP	4.3417
CLogS	-3.814
H Acceptors	5
H Donors	1
TotalSurfaceArea	341.91
Relative PSA	0.12647
PolarSurfaceArea	53.01
Druglikeness	3.766
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	10
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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