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Chemical ID: 5781866
Chemical ID:
5781866
Name [?]:
N-[4-(2,4-dipentylphenoxy)butyl]-1-hydroxy-naphthalene-2-carboxamide
SMILES [?]:
CCCCCc1ccc(c(c1)CCCCC)OCCCCNC(=O)c2ccc3ccccc3c2O
InChi [?]:
InChI=1/C31H41NO3/c1-3-5-7-13-24-17-20-29(26(23-24)15-8-6-4-2)35-22-12-11-21-32-31(34)28-19-18-25-14-9-10-16-27(25)30(28)33/h9-10,14,16-20,23,33H,3-8,11-13,15,21-22H2,1-2H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,14,4,13,30,31,20,19,5,29,12,32,7,27,26,8,21,18,11,6,28,10,33,25,9,34,23,22,35,24,17/rA:35nCCCCCCCCCCCCCCCCOCCCCNCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s9;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H41NO3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.044 |
Area: | 821.003 |
Solvation: | -4.48104 |
Coulombic: | -49.8475 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 475.662 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 10.16 |
LogP (Chemaxon): | 8.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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