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Chemical ID: 4580467
Chemical ID:
4580467
Name [?]:
7-methoxy-4-(1-piperidylmethyl)chromen-2-one
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)CN3CCCCC3
InChi [?]:
InChI=1/C16H19NO3/c1-19-13-5-6-14-12(9-16(18)20-15(14)10-13)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,4,5,16,20,8,13,14,7,3,6,12,9,15,10,2,11/E:(3,4)(7,8)/rA:20nCOCCCCCCCOOCCCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78344 |
Area: | 458.036 |
Solvation: | -3.66746 |
Coulombic: | -30.5805 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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