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Chemical ID: 6912811
Chemical ID:
6912811
Name [?]:
1-(cyclopropyl-phenyl-methyl)azetidine-2-carboxylic acid
SMILES [?]:
c1ccc(cc1)C(C2CC2)N3CCC3C(=O)O
InChi [?]:
InChI=1/C14H17NO2/c16-14(17)12-8-9-15(12)13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,13,12,4,8,14,7,15,11,16,17/E:(2,3)(4,5)(6,7)(16,17)/rA:17cCCCCCCCCCCNCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s8s9;s7;s11;s12;s11s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO2 |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.98616 |
Area: | 393.181 |
Solvation: | -1.84336 |
Coulombic: | -34.3395 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | -0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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