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Chemical ID: 4114492
Chemical ID:
4114492
Name [?]:
1-(2-methyltetrazol-5-yl)-2-(2-thienylmethylamino)ethanol
SMILES [?]:
Cn1nc(nn1)C(CNCc2cccs2)O
InChi [?]:
InChI=1/C9H13N5OS/c1-14-12-9(11-13-14)8(15)6-10-5-7-3-2-4-16-7/h2-4,8,10,15H,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,10,8,11,7,4,9,5,3,6,2,16,15/rA:16cCNNCNNCCNCCCCCSO/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N5OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76015 |
Area: | 438.568 |
Solvation: | -3.20404 |
Coulombic: | -30.589 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | -0.05 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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