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Chemical ID: 4476577
Chemical ID:
4476577
Name [?]:
None
SMILES [?]:
CC(=O)Nc1c2c(c3ccccc3oc2=O)nc(n1)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C19H11Cl2N3O3/c1-9(25)22-18-15-16(11-4-2-3-5-14(11)27-19(15)26)23-17(24-18)10-6-7-12(20)13(21)8-10/h2-8H,1H3,(H,22,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,21,22,25,2,20,8,23,24,13,6,7,18,5,15,27,26,4,17,19,3,16,14/rA:27nCCONCCCCCCCCCOCONCNCCCCCCClCl/rB:s1;d2;s2;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;d15;s7;d17;d5s18;s18;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11Cl2N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0797 |
Area: | 566.954 |
Solvation: | -3.09416 |
Coulombic: | -50.7881 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 400.214 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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