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Chemical ID: 7657637
Chemical ID:
7657637
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NCC(=O)O
InChi [?]:
InChI=1/C10H13NO2/c1-2-8-3-5-9(6-4-8)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,10,3,6,11,9,12,13/E:(3,4)(5,6)(12,13)/rA:13nCCCCCCCCNCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 26 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.13618 |
Area: | 367.669 |
Solvation: | -2.05555 |
Coulombic: | -39.441 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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