Chemical ID: 6170988

CC(C)Oc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
6170988
Name [?]:
N-(2-chloro-5-nitro-phenyl)-4-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15ClN2O4/c1-10(2)23-13-6-3-11(4-7-13)16(20)18-15-9-12(19(21)22)5-8-14(15)17/h3-10H,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,17,6,10,18,15,2,8,16,5,19,14,11,20,13,21,12,22,23,4/E:(1,2)(3,4)(6,7)(21,22)/CRV:19.5/rA:23nCCCOCCCCCCCONCCCCCCClN+OO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.55793
Area:538.81
Solvation:-7.91232
Coulombic:-41.1842
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.754
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.18
LogP (Chemaxon):3.43

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