Chemical ID: 6147365

Cc1cc(c2c(=[NH+]CCc3ccc(c(c3)OC)OC)cc(oc2c1)c4ccccc4)C
Chemical ID:
6147365
Name [?]:
2-(3,4-dimethoxyphenyl)ethyl-(5,7-dimethyl-2-phenyl-chromen-4-ylidene)-ammonium
SMILES [?]:
Cc1cc(c2c(=[NH+]CCc3ccc(c(c3)OC)OC)cc(oc2c1)c4ccccc4)C
InChi [?]:
InChI=1/C27H27NO3/c1-18-14-19(2)27-22(17-24(31-26(27)15-18)21-8-6-5-7-9-21)28-13-12-20-10-11-23(29-3)25(16-20)30-4/h5-11,14-17H,12-13H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,31,19,17,28,27,29,26,30,11,12,9,8,3,24,15,20,2,4,10,25,6,13,21,14,23,5,7,18,16,22/E:(6,7)(8,9)/rA:31nCCCCCCN+CCCCCCCCOCOCCCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;w6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s6;d20;s21;d5s22;d2s23;s21;s25;d26;s27;d28;d25s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28NO3+
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:-19.7734
Area:666.966
Solvation:-36.4475
Coulombic:-11.5991
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:414.516
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.19
LogP (Chemaxon):6.49

Name Annotations

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Descriptor Annotations

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