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Chemical ID: 6914987
Chemical ID:
6914987
Name [?]:
1-(1-benzothiophen-2-ylethyl)-1-hydroxy-urea
SMILES [?]:
CC(c1cc2ccccc2s1)N(C(=O)N)O
InChi [?]:
InChI=1/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,4,2,5,10,3,13,15,12,14,16,11/rA:16cCCCCCCCCCCSNCONO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s2;s12;d13;s13;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.00617 |
Area: | 391.283 |
Solvation: | -2.7759 |
Coulombic: | -44.532 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.291 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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