Chemical ID: 4747895

c1ccc2c(c1)NC(O2)c3cccs3
Chemical ID:
4747895
Name [?]:
2-(2-thienyl)-2,3-dihydrobenzooxazole
SMILES [?]:
c1ccc2c(c1)NC(O2)c3cccs3
InChi [?]:
InChI=1/C11H9NOS/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7,11-12H
InChi Info:
AuxInfo=1/0/N:1,2,12,6,3,11,13,5,4,10,8,7,9,14/rA:14cCCCCCCNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s8;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.05873
Area:360.427
Solvation:-1.95194
Coulombic:-22.5637
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:203.261
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.39
LogP (Chemaxon):2.72

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Descriptor Annotations

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