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Chemical ID: 7691625
Chemical ID:
7691625
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)C(=O)c2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)16(21)14-10-19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12,19H,2,5-6,9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,23,8,7,21,24,9,17,11,6,20,16,19,14,12,4,18,10,15,13,5,3/rA:24cCCOCOCCCCNCCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;d14;s14;d16;s17;s18;s16s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6248 |
Area: | 534.623 |
Solvation: | -2.7408 |
Coulombic: | -58.2259 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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