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Chemical ID: 4326325
Chemical ID:
4326325
Name [?]:
N-cyclohexylbenzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)NC3CCCCC3)OCO2
InChi [?]:
InChI=1/C14H17NO3/c16-14(15-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,1-5,9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,15,1,2,5,17,6,10,3,4,7,9,8,18,16/E:(2,3)(4,5)/rA:18nCCCCCCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;s16;s3s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75287 |
Area: | 430.555 |
Solvation: | -3.011 |
Coulombic: | -38.592 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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