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Chemical ID: 7654741
Chemical ID:
7654741
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCNC(=S)N
InChi [?]:
InChI=1/C11H13N3S/c12-11(15)13-6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7,14H,5-6H2,(H3,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,8,7,5,4,13,15,12,9,14/rA:15nCCCCCCCCNCCNCSN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3S |
All Atoms: | 28 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.77891 |
Area: | 408.862 |
Solvation: | -1.44264 |
Coulombic: | -40.9207 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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