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Chemical ID: 6836211
Chemical ID:
6836211
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2[nH]cc(c3=O)C(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C20H13ClN2O2/c21-13-5-3-6-14(10-13)23-20(25)17-11-22-18-15-7-2-1-4-12(15)8-9-16(18)19(17)24/h1-11H,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,6,22,20,3,7,8,24,12,5,23,19,4,9,13,10,14,16,25,11,18,15,17/rA:25nCCCCCCCCCCNCCCOCONCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s9s13;d14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13ClN2O2 |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77541 |
Area: | 536.405 |
Solvation: | -3.63473 |
Coulombic: | -41.8012 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 348.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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