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Chemical ID: 7516618
Chemical ID:
7516618
Name [?]:
2-azepan-1-yl-N-benzyl-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)CN2CCCCCC2
InChi [?]:
InChI=1/C15H22N2O/c18-15(13-17-10-6-1-2-7-11-17)16-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,6,14,17,3,5,13,18,7,11,4,9,8,12,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCNCOCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.88763 |
Area: | 452.692 |
Solvation: | -2.42967 |
Coulombic: | -27.6822 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.17 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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