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Chemical ID: 5447507
Chemical ID:
5447507
Name [?]:
None
SMILES [?]:
Cc1nc-2c(s1)CCc3c2cccc3
InChi [?]:
InChI=1/C12H11NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,8,7,2,9,10,5,4,3,6/rA:14nCCNCCSCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s4s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96056 |
Area: | 357.638 |
Solvation: | -0.980392 |
Coulombic: | -6.91115 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 201.288 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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