Chemical ID: 5235088

COC1=CCC(=CC1)Cc2ccc[nH]2
Chemical ID:
5235088
Name [?]:
2-[(4-methoxy-1-cyclohexa-1,4-dienyl)methyl]-1H-pyrrole
SMILES [?]:
COC1=CCC(=CC1)Cc2ccc[nH]2
InChi [?]:
InChI=1/C12H15NO/c1-14-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h2-4,7-8,13H,5-6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,7,5,8,4,13,9,6,10,3,14,2/rA:14nCOCCCCCCCCCCCN/rB:s1;s2;d3;s4;s5;d6;s3s7;s6;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.7582
Area:368.85
Solvation:-2.46304
Coulombic:-18.2678
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.254
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.59
LogP (Chemaxon):1.01

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Descriptor Annotations

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