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Chemical ID: 6515528
Chemical ID:
6515528
Name [?]:
11-[4-(10-carboxydecylcarbamoyl)benzoyl]aminoundecanoic acid
SMILES [?]:
c1cc(ccc1C(=O)NCCCCCCCCCCC(=O)O)C(=O)NCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C30H48N2O6/c33-27(34)17-13-9-5-1-3-7-11-15-23-31-29(37)25-19-21-26(22-20-25)30(38)32-24-16-12-8-4-2-6-10-14-18-28(35)36/h19-22H,1-18,23-24H2,(H,31,37)(H,32,38)(H,33,34)(H,35,36)
InChi Info:
AuxInfo=1/1/N:15,31,14,30,16,32,13,29,17,33,12,28,18,34,11,27,19,35,1,5,2,4,10,26,6,3,20,36,7,23,9,25,21,22,37,38,8,24/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)(29,30)(31,32)(33,34,35,36)(37,38)/gE:(1,2)(3,4)/rA:38nCCCCCCCONCCCCCCCCCCCOOCONCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s20;s3;d23;s23;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;d36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H48N2O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 19.2022 |
Area: | 981.47 |
Solvation: | -5.33458 |
Coulombic: | -98.6779 |
Bond Count [?]
All: | 38 |
Single: | 31 |
Double: | 7 |
Rotors: | 26 |
Chiral: | 0 |
Rigid Segments: | 15 |
Chemical Properties
Molecular Weight: | 532.712 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 6.69 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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