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Chemical ID: 5119066
Chemical ID:
5119066
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2nc(cc3C(=O)O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H12ClNO2/c21-14-8-5-13(6-9-14)18-11-17(20(23)24)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,23,7,20,22,8,13,5,18,21,4,9,14,12,10,15,24,11,16,17/E:(5,6)(8,9)(23,24)/rA:24nCCCCCCCCCCNCCCCOOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s14;d15;s15;s12;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12ClNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9433 |
Area: | 520.329 |
Solvation: | -2.0649 |
Coulombic: | -36.5623 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 333.768 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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