Chemical ID: 6166537

c1ccc(cc1)N2Cc3ccccc3C2
Chemical ID:
6166537
Name [?]:
2-phenylisoindoline
SMILES [?]:
c1ccc(cc1)N2Cc3ccccc3C2
InChi [?]:
InChI=1/C14H13N/c1-2-8-14(9-3-1)15-10-12-6-4-5-7-13(12)11-15/h1-9H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,10,13,3,5,8,15,9,14,4,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:15nCCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.75969
Area:365.875
Solvation:-1.38719
Coulombic:-9.32185
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:195.26
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.63
LogP (Chemaxon):3.82

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Descriptor Annotations

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