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Chemical ID: 5098405
Chemical ID:
5098405
Name [?]:
2-amino-2-(5-bromo-2-thienyl)-2-cyclopropyl-acetic acid
SMILES [?]:
c1cc(sc1C(C2CC2)(C(=O)O)N)Br
InChi [?]:
InChI=1/C9H10BrNO2S/c10-7-4-3-6(14-7)9(11,8(12)13)5-1-2-5/h3-5H,1-2,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:8,9,1,2,7,5,3,10,6,14,13,11,12,4/E:(1,2)(12,13)/rA:14cCCCSCCCCCCOONBr/rB:s1;d2;s3;d1s4;s5;s6;s7;s7s8;s6;d10;s10;s6;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10BrNO2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.66346 |
Area: | 382.752 |
Solvation: | -1.90534 |
Coulombic: | -41.0698 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.151 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.46 |
LogP (Chemaxon): | -0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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