Chemical ID: 5872089

COc1ccc(cc1c2ccccc2)N
Chemical ID:
5872089
Name [?]:
4-methoxy-3-phenyl-aniline
SMILES [?]:
COc1ccc(cc1c2ccccc2)N
InChi [?]:
InChI=1/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,4,7,9,6,8,3,15,2/E:(3,4)(5,6)/rA:15nCOCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.00619
Area:375.003
Solvation:-2.3689
Coulombic:-25.7118
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.248
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):2.7

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Descriptor Annotations

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