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Chemical ID: 5031721
Chemical ID:
5031721
Name [?]:
None
SMILES [?]:
CCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(c3=O)CCCCC
InChi [?]:
InChI=1/C20H24N2O4/c1-3-5-7-9-21-17(23)13-11-15-16(12-14(13)18(21)24)20(26)22(19(15)25)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,3,24,4,23,5,22,10,13,9,14,11,12,7,15,20,17,6,19,8,16,21,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22)(23,24,25,26)/rA:26nCCCCCNCOCCCCCCCOCONCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s6s14;d15;s12;d17;s17;s11s19;d20;s19;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5209 |
Area: | 607.43 |
Solvation: | -3.66489 |
Coulombic: | -52.5024 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.08 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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