Chemical ID: 5513485

c1ccc(cc1)CCNC(=O)COc2ccc(cc2Cl)[N+](=O)[O-]
Chemical ID:
5513485
Name [?]:
2-(2-chloro-4-nitro-phenoxy)-N-phenethyl-acetamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)COc2ccc(cc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15ClN2O4/c17-14-10-13(19(21)22)6-7-15(14)23-11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,15,7,8,18,12,4,17,19,14,10,20,9,21,11,22,23,13/E:(2,3)(4,5)(21,22)/CRV:19.5/rA:23nCCCCCCCCNCOCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.52945
Area:561.316
Solvation:-10.5035
Coulombic:-39.0632
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:334.754
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):3.22

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