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Chemical ID: 7325973
Chemical ID:
7325973
Name [?]:
7-hydroxy-8-methyl-4-(1-piperidylmethyl)chromen-2-one
SMILES [?]:
Cc1c(ccc2c1oc(=O)cc2CN3CCCCC3)O
InChi [?]:
InChI=1/C16H19NO3/c1-11-14(18)6-5-13-12(9-15(19)20-16(11)13)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,5,4,15,19,11,13,2,12,6,3,9,7,14,20,10,8/E:(3,4)(7,8)/rA:20nCCCCCCCOCOCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s15;s16;s17;s14s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO3 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18865 |
Area: | 451.101 |
Solvation: | -3.08887 |
Coulombic: | -39.5347 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 273.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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