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Chemical ID: 6917984
Chemical ID:
6917984
Name [?]:
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate
SMILES [?]:
CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi [?]:
InChI=1/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,42,2,3,8,10,7,11,4,40,39,37,36,34,33,31,30,28,27,25,24,22,21,19,18,16,15,9,6,12,5,13,41,38,35,32,29,26,23,20,17,14/E:(5,6)(7,8)/rA:42nCCCCNCCCCCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H53NO11 |
All Atoms: | 95 |
Heavy Atoms: | 42 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9235 |
Area: | 1078.72 |
Solvation: | -20.0446 |
Coulombic: | -97.0925 |
Bond Count [?]
All: | 42 |
Single: | 38 |
Double: | 4 |
Rotors: | 33 |
Chiral: | 0 |
Rigid Segments: | 18 |
Chemical Properties
Molecular Weight: | 603.742 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 12 |
XLogP: | 1.24 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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