2-[[4-[(Z)-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenoxy]methyl]benzonitrile

Formula:C24H19N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[4-[(Z)-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[4-[(Z)-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenoxy]methyl]benzonitrile
MolecularFormula	C24H19N3O3
Smiles	N#Cc1c(COc2ccc(/C=N\N(C([C@H]3[C@@H]4[C@@H]5C=C[C@H]3C5)=O)C4=O)cc2)cccc1
InChI	InChI=1S/C24H19N3O3/c25-12-18-3-1-2-4-19(18)14-30-20-9-5-15(6-10-20)13-26-27-23(28)21-16-7-8-17(11-16)22(21)24(27)29/h1-10,13,16-17,21-22H,11,14H2/t16-,17-,21+,22+/m1/s1
InChIK	SKBDWWBFYVTNIZ-YAKVFXAGSA-N
TotalMolweight	397.433
Molweight	397.433
MonoisotopicMass	397.142642
CLogP	2.9222
CLogS	-5.382
H Acceptors	6
TotalSurfaceArea	298.81
Relative PSA	0.21653
PolarSurfaceArea	82.76
Druglikeness	0.18279
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
StereoCon	this enantiomer

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1 - 2-[[4-[(Z)-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenoxy]methyl]benzonitrile | 2 - 2-[[4-[(Z)-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenoxy]methyl]benzonitrile

Request More Details | 2-[[4-[(Z)-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenoxy]methyl]benzonitrile

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