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Chemical ID: 6760872
Chemical ID:
6760872
Name [?]:
[4-(6-chloro-2-phenyl-chromen-4-ylidene)aminophenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)N=c2cc(oc3c2cc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C23H16ClNO3/c1-15(26)27-19-10-8-18(9-11-19)25-21-14-23(16-5-3-2-4-6-16)28-22-12-7-17(24)13-20(21)22/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,20,7,9,6,10,21,18,13,2,23,19,8,5,17,12,16,14,22,11,3,4,15/E:(3,4)(5,6)(8,9)(10,11)/rA:28nCCOOCCCCCCNCCCOCCCCCCClCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s14;s15;s12s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16ClNO3 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2737 |
Area: | 613.461 |
Solvation: | -3.06282 |
Coulombic: | -33.1599 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 389.831 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.7 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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