Chemical ID: 6142237

CN(C)c1ccc(cc1)c2c(c(=O)c3ccccc3o2)O
Chemical ID:
6142237
Name [?]:
2-(4-dimethylaminophenyl)-3-hydroxy-chromen-4-one
SMILES [?]:
CN(C)c1ccc(cc1)c2c(c(=O)c3ccccc3o2)O
InChi [?]:
InChI=1/C17H15NO3/c1-18(2)12-9-7-11(8-10-12)17-16(20)15(19)13-5-3-4-6-14(13)21-17/h3-10,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,18,6,8,5,9,7,4,14,19,12,11,10,2,13,21,20/E:(1,2)(7,8)(9,10)/rA:21nCNCCCCCCCCCCOCCCCCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.51428
Area:466.474
Solvation:-3.14758
Coulombic:-41.2994
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):4.25

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Descriptor Annotations

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