Chemical ID: 4173178

Cc1ccc(cc1Cl)NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC
Chemical ID:
4173178
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-methoxy-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC
InChi [?]:
InChI=1/C15H13ClN2O4/c1-9-3-5-11(8-12(9)16)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,3,13,4,14,17,6,2,12,5,7,16,15,10,8,9,18,11,19,20,21/E:(20,21)/CRV:18.5/rA:22nCCCCCCCClNCOCCCCCCN+OO-OC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:2.14333
Area:509.157
Solvation:-10.5856
Coulombic:-37.9405
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.728
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):3.79

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Descriptor Annotations

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