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Chemical ID: 6674623
Chemical ID:
6674623
Name [?]:
1-naphthyl (2-chloro-4-nitro-phenyl)aminoformate
SMILES [?]:
c1ccc2c(c1)cccc2OC(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H11ClN2O4/c18-14-10-12(20(22)23)8-9-15(14)19-17(21)24-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,17,16,19,5,18,4,20,15,10,12,21,14,22,13,23,24,11/E:(22,23)/CRV:20.5/rA:24nCCCCCCCCCCOCONCCCCCCClN+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.38536 |
Area: | 529.987 |
Solvation: | -6.86431 |
Coulombic: | -46.7943 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.733 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.67 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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