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Chemical ID: 7679824
Chemical ID:
7679824
Name [?]:
None
SMILES [?]:
CCSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3c(cccc3Cl)F
InChi [?]:
InChI=1/C15H13ClFN3O2S/c1-2-23-15-19-13-12(14(22)20-15)7(6-10(21)18-13)11-8(16)4-3-5-9(11)17/h3-5,7H,2,6H2,1H3,(H2,18,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,14,15,21,17,12,16,8,9,6,4,22,23,11,10,5,13,7,3/rA:23cCCSCNCOCCNNCOCCCCCCCCClF/rB:s1;s2;s3;s4;s5;d6;s6;d8;d4s9;s9;s11;d12;s12;s8s14;s15;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClFN3O2S |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.48852 |
Area: | 499.652 |
Solvation: | -3.00276 |
Coulombic: | -50.519 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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