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Chemical ID: 4794109
Chemical ID:
4794109
Name [?]:
None
SMILES [?]:
CN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)OC
InChi [?]:
InChI=1/C19H14ClNO4/c1-21-16(10-3-6-12(24-2)7-4-10)15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(21)23/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,19,23,10,20,22,11,8,18,9,21,7,12,4,3,5,14,15,17,2,6,16,24,13/E:(3,4)(6,7)/rA:25cCNCCCOCCCCCCOCCOClCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d4s13;s2s14;d15;s9;s3;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.99399 |
Area: | 535.534 |
Solvation: | -4.39436 |
Coulombic: | -42.0735 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 355.772 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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