(Z)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)but-3-enoic acid

Formula:C17H13NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)but-3-enoic acid is a drug-like molecule.

MolName	(Z)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)but-3-enoic acid
MolecularFormula	C17H13NO3S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C/c1cc(O)ccc1)=O
InChI	InChI=1S/C17H13NO3S/c19-13-5-3-4-11(9-13)8-12(10-16(20)21)17-18-14-6-1-2-7-15(14)22-17/h1-9,19H,10H2,(H,20,21)
InChIK	BZUAEDSCKGHVFY-UHFFFAOYSA-N
TotalMolweight	311.36
Molweight	311.36
MonoisotopicMass	311.061614
CLogP	2.9266
CLogS	-3.194
H Acceptors	4
H Donors	2
TotalSurfaceArea	231.24
Relative PSA	0.30518
PolarSurfaceArea	98.66
Druglikeness	1.799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)but-3-enoic acid | 2 - (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)but-3-enoic acid

Request More Details | (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)but-3-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments