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Chemical ID: 5757925
Chemical ID:
5757925
Name [?]:
None
SMILES [?]:
CCOC(=O)CC1C(=O)N2CCc3ccccc3C2CN1
InChi [?]:
InChI=1/C16H20N2O3/c1-2-21-15(19)9-13-16(20)18-8-7-11-5-3-4-6-12(11)14(18)10-17-13/h3-6,13-14,17H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,12,11,6,20,13,18,7,19,4,8,21,10,5,9,3/rA:21cCCOCOCCCONCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.86175 |
Area: | 474.323 |
Solvation: | -2.99633 |
Coulombic: | -43.8437 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 288.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.97 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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