N-[(Z)-[4-(1-adamantyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-3-chlorobenzamide

Formula:C21H22N2O2ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-(1-adamantyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-3-chlorobenzamide is a drug-like molecule.

MolName	N-[(Z)-[4-(1-adamantyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-3-chlorobenzamide
MolecularFormula	C21H22N2O2ClF3
Smiles	O=C(C/C(/C(F)(F)F)=N/NC(c1cccc(Cl)c1)=O)C1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C21H22ClF3N2O2/c22-16-3-1-2-15(7-16)19(29)27-26-17(21(23,24)25)8-18(28)20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14H,4-6,8-11H2,(H,27,29)
InChIK	YSIFTEXIPFLCSP-UHFFFAOYSA-N
TotalMolweight	426.865
Molweight	426.865
MonoisotopicMass	426.132189
CLogP	4.8305
CLogS	-6.51
H Acceptors	4
H Donors	1
TotalSurfaceArea	291.8
Relative PSA	0.16809
PolarSurfaceArea	58.53
Druglikeness	-7.6155
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	8
StereoCon

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1 - N-[(Z)-[4-(1-adamantyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-3-chlorobenzamide | 2 - N-[(Z)-[4-(1-adamantyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-3-chlorobenzamide

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