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Chemical ID: 6381818
Chemical ID:
6381818
Name [?]:
2-cyclohexylbenzooxazol-5-amine
SMILES [?]:
c1cc2c(cc1N)nc(o2)C3CCCCC3
InChi [?]:
InChI=1/C13H16N2O/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChi Info:
AuxInfo=1/0/N:14,13,15,12,16,1,2,5,11,6,4,3,9,7,8,10/E:(2,3)(4,5)/rA:16nCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4008 |
Area: | 392.4 |
Solvation: | -1.40921 |
Coulombic: | -31.0925 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.54 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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