Chemical ID: 4100053

CC1=C2C=CC=CC2c3nc4ccc(cc4n3N1)Cl
Chemical ID:
4100053
Name [?]:
None
SMILES [?]:
CC1=C2C=CC=CC2c3nc4ccc(cc4n3N1)Cl
InChi [?]:
InChI=1/C15H12ClN3/c1-9-11-4-2-3-5-12(11)15-17-13-7-6-10(16)8-14(13)19(15)18-9/h2-8,12,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,13,12,15,2,14,3,8,11,16,9,19,10,18,17/rA:19cCCCCCCCCCNCCCCCCNNCl/rB:s1;d2;s3;d4;s5;d6;s3s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s2s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.16748
Area:432.002
Solvation:-1.63257
Coulombic:-18.9783
Bond Count [?]
All:22
Single:15
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:269.729
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.72
LogP (Chemaxon):2.21

Name Annotations

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Descriptor Annotations

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