3-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

Formula:C20H15N4O2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is a drug-like molecule.

MolName	3-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
MolecularFormula	C20H15N4O2I
Smiles	COc(cc1)ccc1-n1nc(cc(cc2)NC(c3cccc(I)c3)=O)c2n1
InChI	InChI=1S/C20H15IN4O2/c1-27-17-8-6-16(7-9-17)25-23-18-10-5-15(12-19(18)24-25)22-20(26)13-3-2-4-14(21)11-13/h2-12H,1H3,(H,22,26)
InChIK	NYHROHHOMSAHCG-UHFFFAOYSA-N
TotalMolweight	470.265
Molweight	470.265
MonoisotopicMass	470.023974
CLogP	3.8505
CLogS	-5.083
H Acceptors	6
H Donors	1
TotalSurfaceArea	291.85
Relative PSA	0.21693
PolarSurfaceArea	69.04
Druglikeness	4.6911
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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