Chemical ID: 5497247

c1cc(ccc1CCNC(=O)COc2ccc(cc2Cl)[N+](=O)[O-])Cl
Chemical ID:
5497247
Name [?]:
2-(2-chloro-4-nitro-phenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILES [?]:
c1cc(ccc1CCNC(=O)COc2ccc(cc2Cl)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C16H14Cl2N2O4/c17-12-3-1-11(2-4-12)7-8-19-16(21)10-24-15-6-5-13(20(22)23)9-14(15)18/h1-6,9H,7-8,10H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,8,18,12,6,3,17,19,14,10,24,20,9,21,11,22,23,13/E:(1,2)(3,4)(22,23)/CRV:20.5/rA:24nCCCCCCCCNCOCOCCCCCCClN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.42188
Area:597.354
Solvation:-10.512
Coulombic:-39.1709
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.199
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.99
LogP (Chemaxon):3.74

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Descriptor Annotations

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