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Chemical ID: 6734998
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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