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Chemical ID: 6142237
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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