2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzoic acid

Formula:C16H13N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]benzoic acid
MolecularFormula	C16H13N5O2
Smiles	OC(c(cccc1)c1N/C=C/c1nnnn1-c1ccccc1)=O
InChI	InChI=1S/C16H13N5O2/c22-16(23)13-8-4-5-9-14(13)17-11-10-15-18-19-20-21(15)12-6-2-1-3-7-12/h1-11,17H,(H,22,23)
InChIK	PZGGHECYRIWRNM-UHFFFAOYSA-N
TotalMolweight	307.312
Molweight	307.312
MonoisotopicMass	307.106925
CLogP	1.3105
CLogS	-3.294
H Acceptors	7
H Donors	2
TotalSurfaceArea	240.32
Relative PSA	0.32199
PolarSurfaceArea	92.93
Druglikeness	0.28841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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