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Chemical ID: 6963268
Chemical ID:
6963268
Name [?]:
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
SMILES [?]:
c1ccc2c(c1)CCCN2C(=O)CCCCCCCC(=O)N3CCCc4c3cccc4
InChi [?]:
InChI=1/C27H34N2O2/c30-26(28-20-10-14-22-12-6-8-16-24(22)28)18-4-2-1-3-5-19-27(31)29-21-11-15-23-13-7-9-17-25(23)29/h6-9,12-13,16-17H,1-5,10-11,14-15,18-21H2
InChi Info:
AuxInfo=1/0/N:16,15,17,14,18,1,30,2,29,8,24,6,31,7,25,3,28,13,19,9,23,5,26,4,27,11,20,10,22,12,21/E:(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)(28,29)(30,31)/rA:31nCCCCCCCCCNCOCCCCCCCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s22s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H34N2O2 |
All Atoms: | 65 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4247 |
Area: | 683.193 |
Solvation: | -3.65515 |
Coulombic: | -32.9309 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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