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Chemical ID: 5461058
Chemical ID:
5461058
Name [?]:
1-[3-(2-chlorophenoxy)propyl]-7-methyl-indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCCOc3ccccc3Cl
InChi [?]:
InChI=1/C18H16ClNO3/c1-12-6-4-7-13-16(12)20(18(22)17(13)21)10-5-11-23-15-9-3-2-8-14(15)19/h2-4,6-9H,5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,4,14,3,5,21,18,13,15,2,6,22,17,7,11,9,23,8,12,10,16/rA:23nCCCCCCCNCOCOCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44546 |
Area: | 530.955 |
Solvation: | -3.82841 |
Coulombic: | -36.534 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.777 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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