Chemical ID: 7325973

Cc1c(ccc2c1oc(=O)cc2CN3CCCCC3)O
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

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Descriptor Annotations

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