N-[(E)-[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]-4-nitrobenzamide

Formula:C23H14N5O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]-4-nitrobenzamide is not a drug-like molecule.

MolName	N-[(E)-[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]-4-nitrobenzamide
MolecularFormula	C23H14N5O4Br
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C1/Oc(ccc(Br)c2)c2C=C1c1nc(cccc2)c2[nH]1)=O)=O
InChI	InChI=1S/C23H14BrN5O4/c24-15-7-10-20-14(11-15)12-17(21-25-18-3-1-2-4-19(18)26-21)23(33-20)28-27-22(30)13-5-8-16(9-6-13)29(31)32/h1-12H,(H,25,26)(H,27,30)
InChIK	YEPOSILWPQFAOO-UHFFFAOYSA-N
TotalMolweight	504.299
Molweight	504.299
MonoisotopicMass	503.022916
CLogP	3.4836
CLogS	-5.897
H Acceptors	9
H Donors	2
TotalSurfaceArea	331.4
Relative PSA	0.30594
PolarSurfaceArea	125.19
Druglikeness	-3.0212
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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