Chemical ID: 4555062

CC(C1COc2ccccc2O1)NCC3CO3
Chemical ID:
4555062
Name [?]:
1-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-8-yl)-N-(oxiran-2-ylmethyl)ethanamine
SMILES [?]:
CC(C1COc2ccccc2O1)NCC3CO3
InChi [?]:
InChI=1/C13H17NO3/c1-9(14-6-10-7-15-10)13-8-16-11-4-2-3-5-12(11)17-13/h2-5,9-10,13-14H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,14,16,4,2,15,6,11,3,13,17,5,12/rA:17cCCCCOCCCCCCONCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s2;s13;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:5.86498
Area:424.473
Solvation:-4.74684
Coulombic:-33.8912
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.39
LogP (Chemaxon):1.19

Name Annotations

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Descriptor Annotations

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