Chemical ID: 6520306

c1ccc(cc1)C(c2ccccc2)[NH+]3CCN(CC3)C(=O)CCl
Chemical ID:
6520306
Name [?]:
1-(4-benzhydryl-2,3,5,6-tetrahydropyrazin-1-yl)-2-chloro-ethanone
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)[NH+]3CCN(CC3)C(=O)CCl
InChi [?]:
InChI=1/C19H21ClN2O/c20-15-18(23)21-11-13-22(14-12-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2/p+1
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,16,18,15,19,22,4,8,20,7,23,17,14,21/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)/rA:23nCCCCCCCCCCCCCN+CCNCCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN2O+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-18.3467
Area:530.685
Solvation:-31.6138
Coulombic:12.7367
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.844
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.02
LogP (Chemaxon):3.48

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Descriptor Annotations

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