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Chemical ID: 7243072
Chemical ID:
7243072
Name [?]:
2-butylbenzooxazol-6-amine
SMILES [?]:
CCCCc1nc2ccc(cc2o1)N
InChi [?]:
InChI=1/C11H14N2O/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11/h5-7H,2-4,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,8,11,10,7,12,5,14,6,13/rA:14nCCCCCNCCCCCCON/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.03231 |
Area: | 378.896 |
Solvation: | -1.4401 |
Coulombic: | -30.6235 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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