[(E)-(10-oxophenanthren-9-ylidene)amino] 2-(2-cyanophenyl)benzoate

Formula:C28H16N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(10-oxophenanthren-9-ylidene)amino] 2-(2-cyanophenyl)benzoate is not a drug-like molecule.

MolName	[(E)-(10-oxophenanthren-9-ylidene)amino] 2-(2-cyanophenyl)benzoate
MolecularFormula	C28H16N2O3
Smiles	N#Cc(cccc1)c1-c(cccc1)c1C(O/N=C(\c(cccc1)c1-c1c2cccc1)/C2=O)=O
InChI	InChI=1S/C28H16N2O3/c29-17-18-9-1-2-10-19(18)20-11-5-8-16-25(20)28(32)33-30-26-23-14-6-3-12-21(23)22-13-4-7-15-24(22)27(26)31/h1-16H
InChIK	JVRBOXDBWSYVGC-UHFFFAOYSA-N
TotalMolweight	428.446
Molweight	428.446
MonoisotopicMass	428.116093
CLogP	6.51
CLogS	-9.306
H Acceptors	5
TotalSurfaceArea	329.22
Relative PSA	0.18574
PolarSurfaceArea	79.52
Druglikeness	-5.7466
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
StereoCon

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