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Chemical ID: 7429488
Chemical ID:
7429488
Name [?]:
1-(indolin-1-ylcarbonylmethyl)indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)CCN2C(=O)CN3c4ccccc4C(=O)C3=O
InChi [?]:
InChI=1/C18H14N2O3/c21-16(19-10-9-12-5-1-3-7-14(12)19)11-20-15-8-4-2-6-13(15)17(22)18(20)23/h1-8H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,17,2,16,6,18,3,15,7,8,12,5,19,4,14,10,20,22,9,13,11,21,23/rA:23nCCCCCCCCNCOCNCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O3 |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46351 |
Area: | 488.035 |
Solvation: | -3.73738 |
Coulombic: | -43.4117 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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