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Chemical ID: 4672893
Chemical ID:
4672893
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)Nc4cccc(c4)O
InChi [?]:
InChI=1/C20H13NO4/c22-14-6-3-5-13(10-14)21-19(23)17-11-16-15-7-2-1-4-12(15)8-9-18(16)25-20(17)24/h1-11,22H,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,6,20,22,3,7,8,24,11,5,19,23,4,10,12,9,16,13,18,25,17,14,15/rA:25nCCCCCCCCCCCCCOOCONCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19028 |
Area: | 518.72 |
Solvation: | -4.77773 |
Coulombic: | -55.8999 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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