Chemical ID: 4514024

CC(=O)c1ccccc1NCn2c3ccccc3nn2
Chemical ID:
4514024
Name [?]:
1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone
SMILES [?]:
CC(=O)c1ccccc1NCn2c3ccccc3nn2
InChi [?]:
InChI=1/C15H14N4O/c1-11(20)12-6-2-3-7-13(12)16-10-19-15-9-5-4-8-14(15)17-18-19/h2-9,16H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,16,15,5,8,17,14,11,2,4,9,18,13,10,19,20,12,3/rA:20nCCOCCCCCCNCNCCCCCCNN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.95662
Area:457.591
Solvation:-3.48316
Coulombic:-24.6338
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.298
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.81
LogP (Chemaxon):3.25

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