Chemical ID: 7277767

c1cc(cc(c1)Cl)CNc2ccc(cc2[N+](=O)[O-])C(=O)N
Chemical ID:
7277767
Name [?]:
4-[(3-chlorophenyl)methylamino]-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)CNc2ccc(cc2[N+](=O)[O-])C(=O)N
InChi [?]:
InChI=1/C14H12ClN3O3/c15-11-3-1-2-9(6-11)8-17-12-5-4-10(14(16)19)7-13(12)18(20)21/h1-7,17H,8H2,(H2,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,4,14,8,3,13,5,10,15,19,7,21,9,16,20,17,18/E:(20,21)/CRV:18.5/rA:21nCCCCCCClCNCCCCCCN+OO-CON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12ClN3O3
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.73967
Area:504.708
Solvation:-7.87803
Coulombic:-50.8029
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.716
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.3
LogP (Chemaxon):3.17

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Descriptor Annotations

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