4-[23-[(4-nitrophenyl)methyl]-10,15,20-tris(4-sulfophenyl)-21H-porphyrin-5-yl]benzoic acid

Formula:C52H35N5O13S3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[23-[(4-nitrophenyl)methyl]-10,15,20-tris(4-sulfophenyl)-21H-porphyrin-5-yl]benzoic acid is not a drug-like molecule.

MolName	4-[23-[(4-nitrophenyl)methyl]-10,15,20-tris(4-sulfophenyl)-21H-porphyrin-5-yl]benzoic acid
MolecularFormula	C52H35N5O13S3
Smiles	[O-][N+](c1ccc(Cn2c(/C(/c(cc3)ccc3S(O)(=O)=O)=C3\N=C4C=C3)ccc2/C(/c(cc2)ccc2S(O)(=O)=O)=C(/C=C2)\N=C2/C(/c(cc2)ccc2C(O)=O)=C(/C=C2)\N/C2=C4/c(cc2)ccc2S(O)(=O)=O)cc1)=O
InChI	InChI=1S/C52H35N5O13S3/c58-52(59)35-5-3-31(4-6-35)48-40-21-22-41(53-40)49(32-7-15-37(16-8-32)71(62,63)64)43-24-26-45(55-43)51(34-11-19-39(20-12-34)73(68,69)70)47-28-27-46(56(47)29-30-1-13-36(14-2-30)57(60)61)50(44-25-23-42(48)54-44)33-9-17-38(18-10-33)72(
InChIK	MRGVHHUEFCTLKB-UHFFFAOYSA-N
TotalMolweight	1034.07
Molweight	1034.07
MonoisotopicMass	1033.13935
CLogP	-0.9305
CLogS	-5.409
H Acceptors	18
H Donors	5
TotalSurfaceArea	702.16
Relative PSA	0.31752
PolarSurfaceArea	313.05
Druglikeness	-11.853
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.28767
Fragments	1
Non HAtoms	73
NonCHAtoms	21
Electronegative Atoms	21
Rotatable Bond	11
Rings Closures	10
Small Rings	9
Aromatic Rings	6
Aromatic Atoms	35
Sp3Atoms	9
Symmetricatoms	13
Aromatic Nitrogens	1
BasicNitrogens	2
AcidicOxygens	5
StereoCon

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