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Chemical ID: 5031724
Chemical ID:
5031724
Name [?]:
None
SMILES [?]:
CCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(c3=O)CCCCCC
InChi [?]:
InChI=1/C22H28N2O4/c1-3-5-7-9-11-23-19(25)15-13-17-18(14-16(15)20(23)26)22(28)24(21(17)27)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,4,25,5,24,6,23,11,14,10,15,12,13,8,16,21,18,7,20,9,17,22,19/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)(25,26,27,28)/rA:28nCCCCCCNCOCCCCCCCOCONCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;d16;s13;d18;s18;s12s20;d21;s20;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8649 |
Area: | 662.514 |
Solvation: | -3.69799 |
Coulombic: | -53.1064 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 384.469 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.22 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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