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Chemical ID: 4844595
Chemical ID:
4844595
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)n2c3cccc(c3cc-4c(=O)[nH]c(=O)nc24)Cl
InChi [?]:
InChI=1/C19H14ClN3O2/c1-10-6-7-12(8-11(10)2)23-16-5-3-4-15(20)13(16)9-14-17(23)21-19(25)22-18(14)24/h3-9H,1-2H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,12,13,11,3,4,6,16,2,7,5,15,17,14,10,24,18,21,25,23,20,9,19,22/rA:25nCCCCCCCCNCCCCCCCCCONCONCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;d18;s18;s20;d21;s21;s9s17d23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7796 |
Area: | 521.954 |
Solvation: | -2.26921 |
Coulombic: | -45.7322 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 351.786 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.01 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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