2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoic acid

Formula:C16H12N5O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoic acid
MolecularFormula	C16H12N5O2F
Smiles	OC(c(cccc1)c1N/C=C/c1nnnn1-c(cc1)ccc1F)=O
InChI	InChI=1S/C16H12FN5O2/c17-11-5-7-12(8-6-11)22-15(19-20-21-22)9-10-18-14-4-2-1-3-13(14)16(23)24/h1-10,18H,(H,23,24)
InChIK	GXUBOSUVGZMXGC-UHFFFAOYSA-N
TotalMolweight	325.302
Molweight	325.302
MonoisotopicMass	325.097503
CLogP	1.4113
CLogS	-3.608
H Acceptors	7
H Donors	2
TotalSurfaceArea	246.67
Relative PSA	0.3137
PolarSurfaceArea	92.93
Druglikeness	-1.0516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
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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