Chemical ID: 6147368

Cc1ccc2c(c1)c(=[NH+]c3ccc(cc3)OC(=O)c4ccc(cc4)F)cc(o2)c5ccc(cc5)OC
Chemical ID:
6147368
Name [?]:
[4-(4-fluorobenzoyl)oxyphenyl]-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]-ammonium
SMILES [?]:
Cc1ccc2c(c1)c(=[NH+]c3ccc(cc3)OC(=O)c4ccc(cc4)F)cc(o2)c5ccc(cc5)OC
InChi [?]:
InChI=1/C30H22FNO4/c1-19-3-16-28-26(17-19)27(18-29(36-28)20-6-12-24(34-2)13-7-20)32-23-10-14-25(15-11-23)35-30(33)21-4-8-22(31)9-5-21/h3-18H,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,36,3,20,24,30,34,21,23,11,15,31,33,12,14,4,7,26,2,29,19,22,10,32,13,6,8,5,27,17,25,9,18,35,16,28/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:36nCCCCCCCCN+CCCCCCOCOCCCCCCFCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s8;d26;s5s27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H23FNO4+
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:-17.9994
Area:720.487
Solvation:-36.0116
Coulombic:-28.2701
Bond Count [?]
All:40
Single:25
Double:15
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:480.506
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.75
LogP (Chemaxon):7.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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