Chemical ID: 4999202

CCNc1nc2ccccc2o1
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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