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Chemical ID: 4557027
Chemical ID:
4557027
Name [?]:
[2-(methoxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)-methanone
SMILES [?]:
COCC1CCCN1C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C14H19NO3/c1-17-10-11-6-5-9-15(11)14(16)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,13,14,6,5,12,15,7,3,4,11,16,9,8,10,2,17/rA:18cCOCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s4s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.03764 |
Area: | 430.557 |
Solvation: | -4.72628 |
Coulombic: | -32.2056 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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