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Chemical ID: 4800446
Chemical ID:
4800446
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)C
InChi [?]:
InChI=1/C25H21NO5/c1-3-29-17-7-4-6-16(13-17)22-21-23(27)19-12-15(2)9-10-20(19)31-24(21)25(28)26(22)14-18-8-5-11-30-18/h4-13,22H,3,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,6,28,7,5,27,17,18,29,15,9,25,16,8,4,26,14,19,11,10,12,21,22,24,13,23,3,30,20/rA:31cCCOCCCCCCCCCOCCCCCCOCCONCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;d26;s27;d28;s26s29;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.80205 |
Area: | 630.527 |
Solvation: | -5.96112 |
Coulombic: | -48.6292 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.438 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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