Chemical ID: 5033946

CC1CN1CC(COCCCCOCC(CN2CC2C)O)O
Chemical ID:
5033946
Name [?]:
1-[4-[2-hydroxy-3-(2-methylaziridin-1-yl)-propoxy]butoxy]-3-(2-methylaziridin-1-yl)-propan-2-ol
SMILES [?]:
CC1CN1CC(COCCCCOCC(CN2CC2C)O)O
InChi [?]:
InChI=1/C16H32N2O4/c1-13-7-17(13)9-15(19)11-21-5-3-4-6-22-12-16(20)10-18-8-14(18)2/h13-16,19-20H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,10,11,9,12,3,18,5,16,7,14,2,19,6,15,4,17,22,21,8,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22cCCCNCCCOCCCCOCCCNCCCOO/rB:s1;s2;s2s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17s18;s19;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H32N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:6
ZAP Information [?]
Total:5.91494
Area:607.101
Solvation:-9.26258
Coulombic:-56.0379
Bond Count [?]
All:23
Single:23
Double:0
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:316.436
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.59
LogP (Chemaxon):0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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