Chemical ID: 4580467

COc1ccc2c(cc(=O)oc2c1)CN3CCCCC3
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

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Descriptor Annotations

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