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Chemical ID: 6760849
Chemical ID:
6760849
Name [?]:
methyl 4-(6-chloro-2-phenyl-chromen-4-ylidene)aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)N=c2cc(oc3c2cc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C23H16ClNO3/c1-27-23(26)16-7-10-18(11-8-16)25-20-14-22(15-5-3-2-4-6-15)28-21-12-9-17(24)13-19(20)21/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,6,10,20,7,9,21,18,13,23,5,19,8,17,12,16,14,3,22,11,4,2,15/E:(3,4)(5,6)(7,8)(10,11)/rA:28nCOCOCCCCCCNCCCOCCCCCCClCCCCCC/rB:s1;s2;d3;s3;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: | 12.4884 |
Area: | 613.214 |
Solvation: | -2.84196 |
Coulombic: | -36.1666 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.831 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.85 |
LogP (Chemaxon): | 6.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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