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Chemical ID: 4604442
Chemical ID:
4604442
Name [?]:
1-hexadecylindoline-2,3-dione
SMILES [?]:
CCCCCCCCCCCCCCCCN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22-19-16-15-18-21(22)23(26)24(25)27/h15-16,18-19H,2-14,17,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,21,20,15,22,19,16,23,18,24,26,17,25,27/rA:27nCCCCCCCCCCCCCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s17s24;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H37NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.6012 |
Area: | 706.58 |
Solvation: | -2.06325 |
Coulombic: | -32.2998 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 371.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 7.43 |
LogP (Chemaxon): | 6.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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