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Chemical ID: 7691577
Chemical ID:
7691577
Name [?]:
None
SMILES [?]:
CCCN(CCC)C(=O)C(=O)c1c[nH]c2c1cccc2
InChi [?]:
InChI=1/C16H20N2O2/c1-3-9-18(10-4-2)16(20)15(19)13-11-17-14-8-6-5-7-12(13)14/h5-8,11,17H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,18,19,17,20,3,5,13,16,12,15,10,8,14,4,11,9/E:(1,2)(3,4)(9,10)/rA:20nCCCNCCCCOCOCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s10;d12;s13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3499 |
Area: | 473.638 |
Solvation: | -1.49101 |
Coulombic: | -41.2307 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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