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Chemical ID: 7654878
Chemical ID:
7654878
Name [?]:
None
SMILES [?]:
c1ccc(cc1)COC(=O)N2CCCC(C2)C(=O)CC(=O)O
InChi [?]:
InChI=1/C16H19NO5/c18-14(9-15(19)20)13-7-4-8-17(10-13)16(21)22-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,14,12,19,16,7,4,15,17,20,9,11,18,21,22,10,8/E:(2,3)(5,6)(19,20)/rA:22cCCCCCCCOCONCCCCCCOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s17;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO5 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.9685 |
Area: | 522.554 |
Solvation: | -5.09536 |
Coulombic: | -60.7987 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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