Chemical ID: 7120129

COc1ccc(cc1)C[NH+]2CC[NH2+]CC2
Chemical ID:
7120129
Name [?]:
1-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
COc1ccc(cc1)C[NH+]2CC[NH2+]CC2
InChi [?]:
InChI=1/C12H18N2O/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,12,14,11,15,9,6,3,13,10,2/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCOCCCCCCCN+CCN+CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2O+2
All Atoms:35
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-103.231
Area:386.98
Solvation:-112.906
Coulombic:114.244
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.3
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.09
LogP (Chemaxon):1.12

Name Annotations

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Descriptor Annotations

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