Chemical ID: 4345102

CCN(CC)Cc1c(ccc2c1oc(=O)cc2C)O
Chemical ID:
4345102
Name [?]:
8-(diethylaminomethyl)-7-hydroxy-4-methyl-chromen-2-one
SMILES [?]:
CCN(CC)Cc1c(ccc2c1oc(=O)cc2C)O
InChi [?]:
InChI=1/C15H19NO3/c1-4-16(5-2)9-12-13(17)7-6-11-10(3)8-14(18)19-15(11)12/h6-8,17H,4-5,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,18,2,4,10,9,16,6,17,11,7,8,14,12,3,19,15,13/E:(1,2)(4,5)/rA:19nCCNCCCCCCCCCOCOCCCO/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s11d16;s17;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.15783
Area:439.629
Solvation:-2.8329
Coulombic:-39.9872
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.32
LogP (Chemaxon):2.56

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Descriptor Annotations

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