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Chemical ID: 5806165
Chemical ID:
5806165
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OC)c2cc(c3c4ccccc4ccc3n2)C(=O)O
InChi [?]:
InChI=1/C24H21NO4/c1-3-12-29-21-11-9-16(13-22(21)28-2)20-14-18(24(26)27)23-17-7-5-4-6-15(17)8-10-19(23)25-20/h4-11,13-14H,3,12H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,12,2,20,19,21,18,23,7,24,6,3,9,14,22,8,17,15,25,13,5,10,16,27,26,28,29,11,4/E:(26,27)/rA:29nCCCOCCCCCCOCCCCCCCCCCCCCCNCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;d13s25;s15;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43119 |
Area: | 598.542 |
Solvation: | -5.53236 |
Coulombic: | -48.8541 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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