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Chemical ID: 5184821
Chemical ID:
5184821
Name [?]:
7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-yl-(2-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCCN1C(=O)C2COc3ccccc3O2
InChi [?]:
InChI=1/C15H19NO3/c1-11-6-4-5-9-16(11)15(17)14-10-18-12-7-2-3-8-13(12)19-14/h2-3,7-8,11,14H,4-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,5,3,14,17,6,11,2,13,18,10,8,7,9,12,19/rA:19cCCCCCCNCOCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.51497 |
Area: | 423.426 |
Solvation: | -3.07069 |
Coulombic: | -34.7638 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.38 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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