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Chemical ID: 4196153
Chemical ID:
4196153
Name [?]:
N-(2-chloro-5-nitro-phenyl)-2-(2-naphthyloxy)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)OCC(=O)Nc3cc(ccc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13ClN2O4/c19-16-8-6-14(21(23)24)10-17(16)20-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,19,7,20,5,17,12,9,4,18,6,21,16,13,22,15,23,14,24,25,11/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCCOCCONCCCCCCClN+OO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.81394 |
Area: | 559.547 |
Solvation: | -9.17473 |
Coulombic: | -40.6594 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.76 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.33 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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