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Chemical ID: 4911434
Chemical ID:
4911434
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc-3c(n2c4ccc(c(c4)C(=O)O)O)CCc5c3cccc5
InChi [?]:
InChI=1/C25H19NO3/c27-24-13-11-18(14-21(24)25(28)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,27H,10,12H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,27,29,3,5,26,23,13,22,14,17,8,24,4,12,25,9,16,10,7,15,18,11,21,19,20/E:(2,3)(7,8)(28,29)/rA:29nCCCCCCCCCCNCCCCCCCOOOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s10;s22;s23;s9s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7984 |
Area: | 571.874 |
Solvation: | -3.49847 |
Coulombic: | -51.2309 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.82 |
LogP (Chemaxon): | 5.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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