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Chemical ID: 6497473
Chemical ID:
6497473
Name [?]:
2-amino-3-cyano-4-(2-fluorophenyl)-4H-chromen-7-olate
SMILES [?]:
c1ccc(c(c1)C2c3ccc(cc3OC(=C2C#N)N)[O-])F
InChi [?]:
InChI=1/C16H11FN2O2/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18/h1-7,15,20H,19H2/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,9,12,17,11,5,8,16,4,13,7,15,21,18,19,20,14/rA:21cCCCCCCCCCCCCCOCCCNNO-F/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s7d15;s16;t17;s15;s11;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10FN2O2- |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -33.5101 |
Area: | 440.565 |
Solvation: | -44.5242 |
Coulombic: | -17.171 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 281.261 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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