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Chemical ID: 6876872
Chemical ID:
6876872
Name [?]:
[4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]aminophenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)N=c3cc(oc4c3cc(cc4)C)c5ccc(cc5)OC
InChi [?]:
InChI=1/C31H25NO4/c1-20-4-7-23(8-5-20)31(33)35-26-15-11-24(12-16-26)32-28-19-30(22-9-13-25(34-3)14-10-22)36-29-17-6-21(2)18-27(28)29/h4-19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,36,3,7,26,4,6,30,34,13,15,31,33,12,16,27,24,19,2,25,29,5,14,32,11,23,18,22,20,8,17,9,35,10,21/E:(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCCOOCCCCCCNCCCOCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;d19;s20;s21;s18s22;d23;s24;d25;d22s26;s25;s20;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H25NO4 |
All Atoms: | 61 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4709 |
Area: | 742.788 |
Solvation: | -4.09876 |
Coulombic: | -43.5209 |
Bond Count [?]
All: | 40 |
Single: | 25 |
Double: | 15 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 475.535 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.58 |
LogP (Chemaxon): | 8.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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