Chemical ID: 5279898

c1ccc(c(c1)CCn2c(c(c3c2nc4ccccc4n3)C#N)N)F
Chemical ID:
5279898
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CCn2c(c(c3c2nc4ccccc4n3)C#N)N)F
InChi [?]:
InChI=1/C19H14FN5/c20-14-6-2-1-5-12(14)9-10-25-18(22)13(11-21)17-19(25)24-16-8-4-3-7-15(16)23-17/h1-8H,9-10,22H2
InChi Info:
AuxInfo=1/0/N:1,2,18,17,6,3,19,16,7,8,22,5,11,4,20,15,12,10,13,25,23,24,21,14,9/rA:25nCCCCCCCCNCCCCNCCCCCCNCNNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;s9s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s11;t22;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14FN5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4695
Area:533.007
Solvation:-2.85567
Coulombic:-43.8824
Bond Count [?]
All:28
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.347
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.49
LogP (Chemaxon):3.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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