Chemical ID: 6653708

c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OCCNCCO3
Chemical ID:
6653708
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OCCNCCO3
InChi [?]:
InChI=1/C24H21NO2/c1-3-7-19-17(5-1)9-11-21-23(19)24-20-8-4-2-6-18(20)10-12-22(24)27-16-14-25-13-15-26-21/h1-12,25H,13-16H2
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,3,13,7,18,8,19,25,23,26,22,5,17,4,12,9,20,10,11,24,27,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/rA:27nCCCCCCCCCCCCCCCCCCCCOCCNCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s20;s21;s22;s23;s24;s25;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21NO2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.96996
Area:508.151
Solvation:-3.73381
Coulombic:-27.3795
Bond Count [?]
All:31
Single:21
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:355.429
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.73
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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