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Chemical ID: 7708032
Chemical ID:
7708032
Name [?]:
None
SMILES [?]:
CCC(CO)NC(=O)c1ccccc1OC
InChi [?]:
InChI=1/C12H17NO3/c1-3-9(8-14)13-12(15)10-6-4-5-7-11(10)16-2/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,16,2,11,12,10,13,4,3,9,14,7,6,5,8,15/rA:16cCCCCONCOCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3 |
All Atoms: | 33 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.92526 |
Area: | 412.481 |
Solvation: | -4.38677 |
Coulombic: | -45.6821 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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