4-[10,15,20-tris(4-formylphenyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde

Formula:C48H30N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[10,15,20-tris(4-formylphenyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde is not a drug-like molecule.

MolName	4-[10,15,20-tris(4-formylphenyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde
MolecularFormula	C48H30N4O4
Smiles	O=Cc(cc1)ccc1/C(/c1ccc(/C(/c2ccc(C=O)cc2)=C(/C=C2)\N=C2/C(/c2ccc(C=O)cc2)=C2\N=C3C=C2)[nH]1)=C(\C=C1)/N/C1=C3/c1ccc(C=O)cc1
InChI	InChI=1S/C48H30N4O4/c53-25-29-1-9-33(10-2-29)45-37-17-19-39(49-37)46(34-11-3-30(26-54)4-12-34)41-21-23-43(51-41)48(36-15-7-32(28-56)8-16-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-13-5-31(27-55)6-14-35/h1-28,49-50H
InChIK	LGTFFVJCGLMCBC-UHFFFAOYSA-N
TotalMolweight	726.79
Molweight	726.79
MonoisotopicMass	726.226706
CLogP	5.5548
CLogS	-9.961
H Acceptors	8
H Donors	2
TotalSurfaceArea	554.61
Relative PSA	0.18144
PolarSurfaceArea	120.82
Druglikeness	-0.85404
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.375
Fragments	1
Non HAtoms	56
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	9
Small Rings	8
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	8
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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