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Chemical ID: 4744124
Chemical ID:
4744124
Name [?]:
2-amino-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2cccnc2)N
InChi [?]:
InChI=1/C13H13N3O/c14-12-6-2-1-5-11(12)13(17)16-9-10-4-3-7-15-8-10/h1-8H,9,14H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,16,10,11,5,4,7,17,15,9,8/rA:17nCCCCCCCONCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0002 |
Area: | 420.335 |
Solvation: | -2.50817 |
Coulombic: | -43.8903 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.262 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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