N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide

Formula:C30H22N4O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
MolecularFormula	C30H22N4O2BrCl
Smiles	O=C(c1ccc(COc(cc2)ccc2Cl)cc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br
InChI	InChI=1S/C30H22BrClN4O2/c31-25-12-10-22(11-13-25)29-24(19-36(35-29)27-4-2-1-3-5-27)18-33-34-30(37)23-8-6-21(7-9-23)20-38-28-16-14-26(32)15-17-28/h1-19H,20H2,(H,34,37)
InChIK	QAJZCSQDLSLCRK-UHFFFAOYSA-N
TotalMolweight	585.888
Molweight	585.888
MonoisotopicMass	584.061464
CLogP	6.7999
CLogS	-8.145
H Acceptors	6
H Donors	1
TotalSurfaceArea	412.04
Relative PSA	0.15496
PolarSurfaceArea	68.51
Druglikeness	3.7929
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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