Chemical ID: 6497473

c1ccc(c(c1)C2c3ccc(cc3OC(=C2C#N)N)[O-])F
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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