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Chemical ID: 6688045
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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