Chemical ID: 6688045

c1ccc(cc1)COC(=O)NCCCO
Chemical ID:
6688045
Name [?]:
benzyl 3-hydroxypropylaminoformate
SMILES [?]:
c1ccc(cc1)COC(=O)NCCCO
InChi [?]:
InChI=1/C11H15NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,12,14,7,4,9,11,15,10,8/E:(2,3)(5,6)/rA:15nCCCCCCCOCONCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.46169
Area:421.957
Solvation:-3.08725
Coulombic:-51.5056
Bond Count [?]
All:15
Single:11
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.24
LogP (Chemaxon):1.22

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Descriptor Annotations

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