4-cyano-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-fluorobenzamide

Formula:C27H17N4O2F Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-cyano-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-fluorobenzamide is not a drug-like molecule.

MolName	4-cyano-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-fluorobenzamide
MolecularFormula	C27H17N4O2F
Smiles	N#Cc(cc1)cc(F)c1C(N/N=C\c(c1ccccc1cc1)c1OCc(cccc1)c1C#N)=O
InChI	InChI=1S/C27H17FN4O2/c28-25-13-18(14-29)9-11-23(25)27(33)32-31-16-24-22-8-4-3-5-19(22)10-12-26(24)34-17-21-7-2-1-6-20(21)15-30/h1-13,16H,17H2,(H,32,33)
InChIK	BSQGANFYIXITOD-UHFFFAOYSA-N
TotalMolweight	448.456
Molweight	448.456
MonoisotopicMass	448.133554
CLogP	5.5161
CLogS	-8.528
H Acceptors	6
H Donors	1
TotalSurfaceArea	354.88
Relative PSA	0.20607
PolarSurfaceArea	98.27
Druglikeness	-1.5995
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
StereoCon

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