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Chemical ID: 6876873
Chemical ID:
6876873
Name [?]:
[4-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]aminophenyl] 4-chlorobenzoate
SMILES [?]:
Cc1ccc2c(c1)c(=Nc3ccc(cc3)OC(=O)c4ccc(cc4)Cl)cc(o2)c5ccc(cc5)OC
InChi [?]:
InChI=1/C30H22ClNO4/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
InChi Info:
AuxInfo=1/0/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:36nCCCCCCCCNCCCCCCOCOCCCCCCClCCOCCCCCCOC/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: | C30H22ClNO4 |
All Atoms: | 58 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6537 |
Area: | 753.561 |
Solvation: | -4.18529 |
Coulombic: | -43.6169 |
Bond Count [?]
All: | 40 |
Single: | 25 |
Double: | 15 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 495.953 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.77 |
LogP (Chemaxon): | 8.11 |
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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