Chemical ID: 6521645

c1ccc(cc1)C(C(=O)N2CC[NH+](CC2)c3ccccc3)Cl
Chemical ID:
6521645
Name [?]:
2-chloro-2-phenyl-1-(4-phenyl-2,3,5,6-tetrahydropyrazin-1-yl)-ethanone
SMILES [?]:
c1ccc(cc1)C(C(=O)N2CC[NH+](CC2)c3ccccc3)Cl
InChi [?]:
InChI=1/C18H19ClN2O/c19-17(15-7-3-1-4-8-15)18(22)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h1-10,17H,11-14H2/p+1
InChi Info:
AuxInfo=1/1/N:1,19,2,6,18,20,3,5,17,21,12,14,11,15,4,16,7,8,22,13,10,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22cCCCCCCCCONCCN+CCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s18;d19;d16s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClN2O+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-19.2316
Area:512.552
Solvation:-32.0454
Coulombic:11.446
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.817
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):3.98

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Descriptor Annotations

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