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Chemical ID: 7716533
Chemical ID:
7716533
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3n2cc(n3)c4ccc(cc4)Cl)C1
InChi [?]:
InChI=1/C19H21ClN2S/c1-19(2,3)13-6-9-16-17(10-13)23-18-21-15(11-22(16)18)12-4-7-14(20)8-5-12/h4-5,7-8,11,13H,6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,21,6,18,20,7,23,13,16,5,19,14,8,9,11,2,22,15,12,10/E:(1,2,3)(4,5)(7,8)/rA:23cCCCCCCCCCSCNCCNCCCCCCClC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8s11;s12;d13;d11s14;s14;s16;d17;s18;d19;d16s20;s19;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2S |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1699 |
Area: | 540.22 |
Solvation: | -1.33558 |
Coulombic: | -15.1453 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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