Chemical ID: 4123740

c1cc(sc1)c2cc(no2)C(=O)O
Chemical ID:
4123740
Name [?]:
5-(2-thienyl)isoxazole-3-carboxylic acid
SMILES [?]:
c1cc(sc1)c2cc(no2)C(=O)O
InChi [?]:
InChI=1/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,8,6,3,11,9,12,13,10,4/E:(10,11)/rA:13nCCCSCCCCNOCOO/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5NO3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.51539
Area:356.703
Solvation:-2.40219
Coulombic:-32.8824
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.196
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.26
LogP (Chemaxon):1.33

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Descriptor Annotations

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