Chemical ID: 4345649

c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
4345649
Name [?]:
N-(2-chloro-5-nitro-phenyl)-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11ClN2O4/c15-12-7-6-10(17(19)20)8-13(12)16-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,13,8,14,4,17,12,9,18,11,19,10,20,21,7/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:21nCCCCCCOCCONCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.53261
Area:499.706
Solvation:-8.96003
Coulombic:-40.0783
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.701
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.07
LogP (Chemaxon):2.7

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Descriptor Annotations

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