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Chemical ID: 7697867
Chemical ID:
7697867
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C15H19NO3/c17-14(10-9-11-5-1-2-6-11)16-13-8-4-3-7-12(13)15(18)19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:17,18,1,2,16,19,6,3,14,13,15,5,4,11,7,10,12,8,9/E:(1,2)(5,6)(18,19)/rA:19nCCCCCCCOONCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO3 |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.31361 |
Area: | 463.31 |
Solvation: | -2.26914 |
Coulombic: | -48.9783 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.23 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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