Chemical ID: 6497472

c1cc(cc(c1)F)C2c3ccc(cc3OC(=C2C#N)N)[O-]
Chemical ID:
6497472
Name [?]:
2-amino-3-cyano-4-(3-fluorophenyl)-4H-chromen-7-olate
SMILES [?]:
c1cc(cc(c1)F)C2c3ccc(cc3OC(=C2C#N)N)[O-]
InChi [?]:
InChI=1/C16H11FN2O2/c17-10-3-1-2-9(6-10)15-12-5-4-11(20)7-14(12)21-16(19)13(15)8-18/h1-7,15,20H,19H2/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,4,13,18,3,5,12,9,17,14,8,16,7,19,20,21,15/rA:21cCCCCCCFCCCCCCCOCCCNNO-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;d12;d9s13;s14;s15;s8d16;s17;t18;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10FN2O2-
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-33.8551
Area:443.421
Solvation:-44.9406
Coulombic:-16.7827
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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