Chemical ID: 7123488

COc1cccc(c1)C[NH+]2CCN(CC2)C(=O)c3ccccc3F
Chemical ID:
7123488
Name [?]:
(2-fluorophenyl)-[4-[(3-methoxyphenyl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1)C[NH+]2CCN(CC2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C19H21FN2O2/c1-24-16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)19(23)17-7-2-3-8-18(17)20/h2-8,13H,9-12,14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,21,5,6,4,19,22,11,15,12,14,8,9,7,3,18,23,16,24,10,13,17,2/E:(9,10)(11,12)/rA:24nCOCCCCCCCN+CCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22FN2O2+
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-21.5262
Area:526.953
Solvation:-34.7001
Coulombic:2.41782
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.389
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.0
LogP (Chemaxon):2.66

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Descriptor Annotations

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