Chemical ID: 7119466

c1cc(ccc1C[NH+]2CC[NH2+]CC2)Cl
Chemical ID:
7119466
Name [?]:
1-[(4-chlorophenyl)methyl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1cc(ccc1C[NH+]2CC[NH2+]CC2)Cl
InChi [?]:
InChI=1/C11H15ClN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2/p+2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,12,9,13,7,6,3,14,11,8/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCN+CCN+CCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17ClN2+2
All Atoms:31
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-102.187
Area:383.96
Solvation:-111.786
Coulombic:120.567
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.719
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.8
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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