N-[(Z)-anthracen-9-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

Formula:C33H30N4O Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
MolecularFormula	C33H30N4O
Smiles	O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C33H30N4O/c38-33(35-34-23-32-30-12-6-4-8-27(30)22-28-9-5-7-13-31(28)32)26-16-14-25(15-17-26)24-36-18-20-37(21-19-36)29-10-2-1-3-11-29/h1-17,22-23H,18-21,24H2,(H,35,38)
InChIK	CTFMEBWEZQKOOF-UHFFFAOYSA-N
TotalMolweight	498.628
Molweight	498.628
MonoisotopicMass	498.241961
CLogP	6.7869
CLogS	-7.861
H Acceptors	5
H Donors	1
TotalSurfaceArea	391.85
Relative PSA	0.11002
PolarSurfaceArea	47.94
Druglikeness	8.994
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	6
Symmetricatoms	12
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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