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Chemical ID: 4999202
Chemical ID:
4999202
Name [?]:
N-ethylbenzooxazol-2-amine
SMILES [?]:
CCNc1nc2ccccc2o1
InChi [?]:
InChI=1/C9H10N2O/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,10,6,11,4,3,5,12/rA:12nCCNCNCCCCCCO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75517 |
Area: | 328.605 |
Solvation: | -1.45997 |
Coulombic: | -28.319 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.189 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.77 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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