Chemical ID: 4103919

Cc1ccc(n1c2ccccc2)C
Chemical ID:
4103919
Name [?]:
2,5-dimethyl-1-phenyl-pyrrole
SMILES [?]:
Cc1ccc(n1c2ccccc2)C
InChi [?]:
InChI=1/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,11,8,12,3,4,2,5,7,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:13nCCCCCNCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.49533
Area:341.577
Solvation:-1.04411
Coulombic:-6.28541
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:171.238
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.16
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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