Chemical ID: 6429035

Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)C=CN(C)C
Chemical ID:
6429035
Name [?]:
N,N-dimethyl-2-(5-methyl-2,4-diphenyl-1-oxonia-3-azacyclohexa-2,4,6-trien-6-yl)-ethenamine
SMILES [?]:
Cc1c([o+]c(nc1c2ccccc2)c3ccccc3)C=CN(C)C
InChi [?]:
InChI=1/C21H21N2O/c1-16-19(14-15-23(2)3)24-21(18-12-8-5-9-13-18)22-20(16)17-10-6-4-7-11-17/h4-15H,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,23,24,11,17,10,12,16,18,9,13,15,19,20,21,2,8,14,3,7,5,6,22,4/E:(2,3)(6,7)(8,9)(10,11)(12,13)/CRV:24+1/rA:24nCCCO+CNCCCCCCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s5;s14;d15;s16;d17;d14s18;s3;w20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N2O+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-11.8778
Area:520.158
Solvation:-24.8817
Coulombic:3.03733
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:317.404
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.19
LogP (Chemaxon):5.58

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Descriptor Annotations

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