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Chemical ID: 4776683
Chemical ID:
4776683
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)c(cc(n3)c4ccco4)C(=O)O
InChi [?]:
InChI=1/C18H11NO3/c20-18(21)14-10-16(17-6-3-7-22-17)19-15-9-12-5-2-1-4-11(12)8-13(14)15/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,10,3,16,18,8,5,12,9,4,7,11,6,13,15,20,14,21,22,19/E:(20,21)/rA:22nCCCCCCCCCCCCCNCCCCOCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s12;s6d13;s13;d15;s16;d17;s15s18;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H11NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16035 |
Area: | 470.816 |
Solvation: | -2.61004 |
Coulombic: | -42.0665 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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