[8-(4-fluorophenyl)-5-nonyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate

Formula:C34H32N4O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [8-(4-fluorophenyl)-5-nonyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[8-(4-fluorophenyl)-5-nonyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate
MolecularFormula	C34H32N4O2F2
Smiles	CCCCCCCCCn(cc1OC(c(cc2)ccc2F)=O)c2c1c1nc(cccc3)c3n1c(-c(cc1)ccc1F)n2
InChI	InChI=1S/C34H32F2N4O2/c1-2-3-4-5-6-7-10-21-39-22-29(42-34(41)24-15-19-26(36)20-16-24)30-32(39)38-31(23-13-17-25(35)18-14-23)40-28-12-9-8-11-27(28)37-33(30)40/h8-9,11-20,22H,2-7,10,21H2,1H3
InChIK	NVRCYHBBFUQRAZ-UHFFFAOYSA-N
TotalMolweight	566.65
Molweight	566.65
MonoisotopicMass	566.249332
CLogP	8.6462
CLogS	-11.255
H Acceptors	6
TotalSurfaceArea	436.74
Relative PSA	0.13692
PolarSurfaceArea	61.42
Druglikeness	-16.382
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45238
Fragments	1
Non HAtoms	42
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	12
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	28
Sp3Atoms	10
Symmetricatoms	4
Aromatic Nitrogens	4
BasicNitrogens	2
StereoCon

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1 - [8-(4-fluorophenyl)-5-nonyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate | 2 - [8-(4-fluorophenyl)-5-nonyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate

Request More Details | [8-(4-fluorophenyl)-5-nonyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate

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