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Chemical ID: 5034368
Chemical ID:
5034368
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C24CNC(=O)O4
InChi [?]:
InChI=1/C15H11NO2/c17-14-16-9-15(18-14)12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,14,5,7,4,12,16,13,15,17,18/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:18nCCCCCCCCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s13s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63234 |
Area: | 395.759 |
Solvation: | -2.26165 |
Coulombic: | -36.5555 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 237.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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