Chemical ID: 4706080

c1cc(ccc1CN2c3cc(ccc3N4CCCC4C2=O)C#N)F
Chemical ID:
4706080
Name [?]:
None
SMILES [?]:
c1cc(ccc1CN2c3cc(ccc3N4CCCC4C2=O)C#N)F
InChi [?]:
InChI=1/C19H16FN3O/c20-15-6-3-13(4-7-15)12-23-18-10-14(11-21)5-8-16(18)22-9-1-2-17(22)19(23)24/h3-8,10,17H,1-2,9,12H2
InChi Info:
AuxInfo=1/0/N:17,18,1,5,12,2,4,13,16,10,22,7,6,11,3,14,19,9,20,24,23,15,8,21/E:(3,4)(6,7)/rA:24cCCCCCCCNCCCCCCNCCCCCOCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s15s18;s8s19;d20;s11;t22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16FN3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:8.96183
Area:488.679
Solvation:-3.25514
Coulombic:-31.5275
Bond Count [?]
All:27
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:321.348
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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