Chemical ID: 6734998

c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)Oc3ccc[nH+]c3)N
Chemical ID:
6734998
Name [?]:
N-[3-amino-5-(1H-pyridin-5-yloxy)phenyl]-3-chloro-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)Oc3ccc[nH+]c3)N
InChi [?]:
InChI=1/C18H14ClN3O2/c19-13-4-1-3-12(7-13)18(23)22-15-8-14(20)9-17(10-15)24-16-5-2-6-21-11-16/h1-11H,20H2,(H,22,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,20,2,6,19,21,4,12,14,16,23,3,5,13,11,18,15,8,7,24,22,10,9,17/rA:24nCCCCCCClCONCCCCCCOCCCCN+CN/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s20;d21;d18s22;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN3O2+
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-22.4065
Area:546.888
Solvation:-36.0787
Coulombic:-36.5227
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.783
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):2.95

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