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Chemical ID: 4147815
Chemical ID:
4147815
Name [?]:
1-hexylindoline-2,3-dione
SMILES [?]:
CCCCCCN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C14H17NO2/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)13(16)14(15)17/h5-6,8-9H,2-4,7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,11,10,5,12,9,6,13,8,14,16,7,15,17/rA:17nCCCCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0157 |
Area: | 440.864 |
Solvation: | -2.00591 |
Coulombic: | -29.2583 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.29 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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