Chemical ID: 6577693

c1ccc(cc1)C(=O)OCC(=O)N2CCCCCC2
Chemical ID:
6577693
Name [?]:
azepan-1-ylcarbonylmethyl benzoate
SMILES [?]:
c1ccc(cc1)C(=O)OCC(=O)N2CCCCCC2
InChi [?]:
InChI=1/C15H19NO3/c17-14(16-10-6-1-2-7-11-16)12-19-15(18)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChi Info:
AuxInfo=1/0/N:16,17,1,2,6,15,18,3,5,14,19,10,4,11,7,13,12,8,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCCCCCOOCCONCCCCCC/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:C15H19NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.81321
Area:461.88
Solvation:-2.73379
Coulombic:-37.9394
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.49
LogP (Chemaxon):1.88

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