Chemical ID: 7123569

c1cc(cc(c1)Br)C[NH+]2CC[NH2+]CC2
Chemical ID:
7123569
Name [?]:
1-[(3-bromophenyl)methyl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1cc(cc(c1)Br)C[NH+]2CC[NH2+]CC2
InChi [?]:
InChI=1/C11H15BrN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2/p+2
InChi Info:
AuxInfo=1/1/N:1,2,6,11,13,10,14,4,8,3,5,7,12,9/E:(4,5)(6,7)/rA:14nCCCCCCBrCN+CCN+CC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17BrN2+2
All Atoms:31
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-101.685
Area:379.18
Solvation:-111.164
Coulombic:120.347
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:257.17
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):2.17

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Descriptor Annotations

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