Chemical ID: 4741510

c1cc(ccc1n2c(=O)n3c(n2)NCCC3)F
Chemical ID:
4741510
Name [?]:
8-(4-fluorophenyl)-1,5,7,8-tetrazabicyclo[4.3.0]non-6-en-9-one
SMILES [?]:
c1cc(ccc1n2c(=O)n3c(n2)NCCC3)F
InChi [?]:
InChI=1/C11H11FN4O/c12-8-2-4-9(5-3-8)16-11(17)15-7-1-6-13-10(15)14-16/h2-5H,1,6-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:15,2,4,1,5,14,16,3,6,11,8,17,13,12,10,7,9/E:(2,3)(4,5)/rA:17nCCCCCCNCONCNNCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s7d11;s11;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11FN4O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.26356
Area:382.764
Solvation:-2.30555
Coulombic:-41.9444
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:234.23
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.88
LogP (Chemaxon):1.96

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Descriptor Annotations

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