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Chemical ID: 5623344
Chemical ID:
5623344
Name [?]:
N-(azepan-1-ylcarbonylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NCC(=O)N2CCCCCC2
InChi [?]:
InChI=1/C15H20N2O2/c18-14(17-10-6-1-2-7-11-17)12-16-15(19)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,6,15,18,3,5,14,19,10,4,11,7,9,13,12,8/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCCCCCONCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25796 |
Area: | 462.083 |
Solvation: | -2.29411 |
Coulombic: | -39.9115 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 260.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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