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Chemical ID: 6262406
Chemical ID:
6262406
Name [?]:
None
SMILES [?]:
c1cc2c3c(c1)c4c(cc3CC2)sc(n4)NC(=O)c5ccc(cc5Cl)Cl
InChi [?]:
InChI=1/C20H12Cl2N2OS/c21-12-6-7-13(15(22)9-12)19(25)24-20-23-18-14-3-1-2-10-4-5-11(17(10)14)8-16(18)26-20/h1-3,6-9H,4-5H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,21,20,9,23,3,10,22,19,5,24,8,4,7,17,14,26,25,15,16,18,13/rA:26nCCCCCCCCCCCCSCNNCOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s3s11;s8;s13;s7d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12Cl2N2OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8877 |
Area: | 573.055 |
Solvation: | -2.43872 |
Coulombic: | -29.2818 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 399.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.74 |
LogP (Chemaxon): | 6.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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