Chemical ID: 6495195

Cc1c2c(on1)C=C(CC2)c3ccccc3
Chemical ID:
6495195
Name [?]:
3-methyl-6-phenyl-4,5-dihydrobenzo[d]isoxazole
SMILES [?]:
Cc1c2c(on1)C=C(CC2)c3ccccc3
InChi [?]:
InChI=1/C14H13NO/c1-10-13-8-7-12(9-14(13)16-15-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,9,10,7,2,11,8,3,4,6,5/E:(3,4)(5,6)/rA:16nCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s4;d7;s8;s3s9;s8;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.73263
Area:388.62
Solvation:-1.98288
Coulombic:-5.36759
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:211.259
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.06
LogP (Chemaxon):2.82

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