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Chemical ID: 6440456
Chemical ID:
6440456
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(o3)C(=O)Nc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C19H11Cl2NO2/c20-12-6-7-16(15(21)9-12)22-19(23)18-10-14-13-4-2-1-3-11(13)5-8-17(14)24-18/h1-10H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,19,18,8,21,11,5,20,4,10,22,17,9,12,14,24,23,16,15,13/rA:24nCCCCCCCCCCCCOCONCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11Cl2NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.739 |
Area: | 545.309 |
Solvation: | -1.89371 |
Coulombic: | -33.7957 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.56 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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