Chemical ID: 4604442

CCCCCCCCCCCCCCCCN1c2ccccc2C(=O)C1=O
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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