Chemical ID: 4557027

COCC1CCCN1C(=O)c2ccccc2OC
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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