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Chemical ID: 5710464
Chemical ID:
5710464
Name [?]:
(7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-amino-4-chloro-benzoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1C)COC(=O)c3ccc(cc3N)Cl
InChi [?]:
InChI=1/C19H16ClNO4/c1-10-3-5-14-12(7-17(22)25-18(14)11(10)2)9-24-19(23)15-6-4-13(20)8-16(15)21/h3-8H,9,21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,20,4,19,7,22,14,2,12,6,21,5,18,23,8,11,16,25,24,9,17,15,10/rA:25nCCCCCCCCOOCCCCOCOCCCCCCNCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0156 |
Area: | 559.207 |
Solvation: | -2.9646 |
Coulombic: | -56.4924 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.787 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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