Chemical ID: 7111513

Cn1c(nnn1)NCc2ccc(cc2)c3ccccc3
Chemical ID:
7111513
Name [?]:
1-methyl-N-[(4-phenylphenyl)methyl]tetrazol-5-amine
SMILES [?]:
Cn1c(nnn1)NCc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C15H15N5/c1-20-15(17-18-19-20)16-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,10,14,11,13,8,9,15,12,3,7,4,5,6,2/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCNCNNNNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s3;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N5
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.125
Area:476.677
Solvation:-1.79194
Coulombic:-21.2378
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.313
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):3.19

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